USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 703 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 802 ASN : amide:sc= 1.54 K(o=3.3,f=1.1) USER MOD Set 1.2: A 811 TYR OH : rot -44:sc= 1.77 USER MOD Single : A 804 GLN : amide:sc= -0.628 K(o=-0.63,f=0) USER MOD Single : A 806 HIS : no HD1:sc= -4.49! K(o=-4.5!,f=-1.7) USER MOD Single : A 808 SER OG : rot 180:sc= 0.0506 USER MOD Single : A 810 TYR OH : rot 180:sc= 0 USER MOD Single : A 817 THR OG1 : rot -82:sc= 1.22 USER MOD Single : A 823 LYS NZ :NH3+ 155:sc= 0.138 (180deg=-0.137) USER MOD Single : A 826 TYR OH : rot 180:sc= 0 USER MOD Single : A 827 THR OG1 : rot 180:sc= -0.0453 USER MOD Single : A 831 THR OG1 : rot 180:sc= -0.0355 USER MOD Single : A 832 SER OG : rot 180:sc= 0 USER MOD Single : A 839 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 840 THR OG1 : rot 70:sc= 0.483 USER MOD Single : A 842 HIS : no HE2:sc= 0.375 K(o=0.38,f=-6!) USER MOD Single : A 845 LYS NZ :NH3+ -171:sc= 0.234 (180deg=0.0427!) USER MOD Single : A 850 MET CE :methyl 177:sc= 0 (180deg=-0.0206) USER MOD Single : A 852 ASN : amide:sc=-0.00524 X(o=-0.0052,f=0) USER MOD Single : A 857 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 858 GLN : amide:sc=-6.04e-05 X(o=-6e-05,f=0) USER MOD Single : A 860 CYS SG : rot 61:sc= -0.28! USER MOD Single : A 862 THR OG1 : rot 180:sc= 0.13 USER MOD Single : A 865 HIS : no HD1:sc= -0.282 X(o=-0.28,f=-0.78) USER MOD Single : A 870 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 877 LYS NZ :NH3+ 159:sc= 1.24 (180deg=0.58) USER MOD Single : A 878 TYR OH : rot 180:sc= 0 USER MOD Single : A 880 SER OG : rot -80:sc= 0.929 USER MOD Single : A 884 SER OG : rot -92:sc= -0.149 USER MOD Single : A 885 TYR OH : rot 180:sc= -0.209 USER MOD Single : A 887 LYS NZ :NH3+ -144:sc= 1.23 (180deg=-0.891) USER MOD Single : A 888 SER OG : rot 180:sc= 0.0114 USER MOD ----------------------------------------------------------------- ATOM 406 N ASN A 802 -7.702 -8.615 1.466 1.00 0.00 N ATOM 407 CA ASN A 802 -7.629 -8.894 0.035 1.00 0.00 C ATOM 408 C ASN A 802 -8.844 -8.323 -0.687 1.00 0.00 C ATOM 409 O ASN A 802 -8.713 -7.659 -1.722 1.00 0.00 O ATOM 410 CB ASN A 802 -7.534 -10.409 -0.207 1.00 0.00 C ATOM 411 CG ASN A 802 -8.050 -10.824 -1.576 1.00 0.00 C ATOM 412 OD1 ASN A 802 -9.252 -10.979 -1.786 1.00 0.00 O ATOM 413 ND2 ASN A 802 -7.142 -11.028 -2.511 1.00 0.00 N ATOM 0 HA ASN A 802 -6.734 -8.416 -0.363 1.00 0.00 H new ATOM 0 HB2 ASN A 802 -6.495 -10.723 -0.105 1.00 0.00 H new ATOM 0 HB3 ASN A 802 -8.102 -10.931 0.563 1.00 0.00 H new ATOM 0 HD21 ASN A 802 -7.428 -11.324 -3.444 1.00 0.00 H new ATOM 0 HD22 ASN A 802 -6.154 -10.890 -2.301 1.00 0.00 H new ATOM 420 N ALA A 803 -10.023 -8.578 -0.129 1.00 0.00 N ATOM 421 CA ALA A 803 -11.269 -8.119 -0.722 1.00 0.00 C ATOM 422 C ALA A 803 -11.285 -6.600 -0.864 1.00 0.00 C ATOM 423 O ALA A 803 -11.572 -6.071 -1.936 1.00 0.00 O ATOM 424 CB ALA A 803 -12.455 -8.590 0.101 1.00 0.00 C ATOM 0 H ALA A 803 -10.139 -9.103 0.738 1.00 0.00 H new ATOM 0 HA ALA A 803 -11.345 -8.550 -1.720 1.00 0.00 H new ATOM 0 HB1 ALA A 803 -13.379 -8.237 -0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 803 -12.462 -9.679 0.139 1.00 0.00 H new ATOM 0 HB3 ALA A 803 -12.377 -8.192 1.113 1.00 0.00 H new ATOM 430 N GLN A 804 -10.959 -5.903 0.214 1.00 0.00 N ATOM 431 CA GLN A 804 -10.911 -4.450 0.183 1.00 0.00 C ATOM 432 C GLN A 804 -9.883 -3.978 -0.842 1.00 0.00 C ATOM 433 O GLN A 804 -10.151 -3.079 -1.640 1.00 0.00 O ATOM 434 CB GLN A 804 -10.569 -3.900 1.573 1.00 0.00 C ATOM 435 CG GLN A 804 -9.976 -2.497 1.554 1.00 0.00 C ATOM 436 CD GLN A 804 -10.998 -1.415 1.854 1.00 0.00 C ATOM 437 OE1 GLN A 804 -10.679 -0.404 2.479 1.00 0.00 O ATOM 438 NE2 GLN A 804 -12.230 -1.615 1.414 1.00 0.00 N ATOM 0 H GLN A 804 -10.725 -6.318 1.116 1.00 0.00 H new ATOM 0 HA GLN A 804 -11.892 -4.074 -0.108 1.00 0.00 H new ATOM 0 HB2 GLN A 804 -11.473 -3.893 2.183 1.00 0.00 H new ATOM 0 HB3 GLN A 804 -9.863 -4.575 2.056 1.00 0.00 H new ATOM 0 HG2 GLN A 804 -9.170 -2.440 2.285 1.00 0.00 H new ATOM 0 HG3 GLN A 804 -9.533 -2.309 0.576 1.00 0.00 H new ATOM 0 HE21 GLN A 804 -12.456 -2.466 0.899 1.00 0.00 H new ATOM 0 HE22 GLN A 804 -12.954 -0.918 1.590 1.00 0.00 H new ATOM 447 N LEU A 805 -8.727 -4.622 -0.838 1.00 0.00 N ATOM 448 CA LEU A 805 -7.617 -4.232 -1.693 1.00 0.00 C ATOM 449 C LEU A 805 -7.968 -4.351 -3.182 1.00 0.00 C ATOM 450 O LEU A 805 -7.680 -3.440 -3.965 1.00 0.00 O ATOM 451 CB LEU A 805 -6.379 -5.066 -1.340 1.00 0.00 C ATOM 452 CG LEU A 805 -5.574 -5.594 -2.512 1.00 0.00 C ATOM 453 CD1 LEU A 805 -4.345 -4.733 -2.740 1.00 0.00 C ATOM 454 CD2 LEU A 805 -5.182 -7.042 -2.278 1.00 0.00 C ATOM 0 H LEU A 805 -8.532 -5.428 -0.244 1.00 0.00 H new ATOM 0 HA LEU A 805 -7.398 -3.180 -1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 805 -5.722 -4.458 -0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 805 -6.698 -5.913 -0.733 1.00 0.00 H new ATOM 0 HG LEU A 805 -6.194 -5.550 -3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 805 -3.778 -5.125 -3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 805 -4.652 -3.709 -2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 805 -3.721 -4.746 -1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 805 -4.605 -7.405 -3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 805 -4.579 -7.114 -1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 805 -6.081 -7.648 -2.164 1.00 0.00 H new ATOM 466 N HIS A 806 -8.594 -5.454 -3.586 1.00 0.00 N ATOM 467 CA HIS A 806 -8.961 -5.612 -4.992 1.00 0.00 C ATOM 468 C HIS A 806 -10.242 -4.840 -5.312 1.00 0.00 C ATOM 469 O HIS A 806 -10.549 -4.596 -6.475 1.00 0.00 O ATOM 470 CB HIS A 806 -9.070 -7.092 -5.414 1.00 0.00 C ATOM 471 CG HIS A 806 -10.385 -7.743 -5.127 1.00 0.00 C ATOM 472 ND1 HIS A 806 -11.258 -8.177 -6.101 1.00 0.00 N ATOM 473 CD2 HIS A 806 -10.963 -8.029 -3.954 1.00 0.00 C ATOM 474 CE1 HIS A 806 -12.318 -8.712 -5.526 1.00 0.00 C ATOM 475 NE2 HIS A 806 -12.167 -8.635 -4.219 1.00 0.00 N ATOM 0 H HIS A 806 -8.852 -6.232 -2.979 1.00 0.00 H new ATOM 0 HA HIS A 806 -8.151 -5.185 -5.583 1.00 0.00 H new ATOM 0 HB2 HIS A 806 -8.874 -7.163 -6.484 1.00 0.00 H new ATOM 0 HB3 HIS A 806 -8.286 -7.656 -4.908 1.00 0.00 H new ATOM 0 HD2 HIS A 806 -10.556 -7.821 -2.976 1.00 0.00 H new ATOM 0 HE1 HIS A 806 -13.166 -9.141 -6.039 1.00 0.00 H new ATOM 0 HE2 HIS A 806 -12.832 -8.969 -3.522 1.00 0.00 H new ATOM 484 N ALA A 807 -10.973 -4.443 -4.273 1.00 0.00 N ATOM 485 CA ALA A 807 -12.167 -3.622 -4.453 1.00 0.00 C ATOM 486 C ALA A 807 -11.790 -2.212 -4.896 1.00 0.00 C ATOM 487 O ALA A 807 -12.461 -1.619 -5.741 1.00 0.00 O ATOM 488 CB ALA A 807 -12.992 -3.575 -3.175 1.00 0.00 C ATOM 0 H ALA A 807 -10.761 -4.675 -3.303 1.00 0.00 H new ATOM 0 HA ALA A 807 -12.774 -4.079 -5.234 1.00 0.00 H new ATOM 0 HB1 ALA A 807 -13.876 -2.957 -3.335 1.00 0.00 H new ATOM 0 HB2 ALA A 807 -13.299 -4.585 -2.903 1.00 0.00 H new ATOM 0 HB3 ALA A 807 -12.393 -3.149 -2.370 1.00 0.00 H new ATOM 494 N SER A 808 -10.718 -1.675 -4.321 1.00 0.00 N ATOM 495 CA SER A 808 -10.213 -0.367 -4.728 1.00 0.00 C ATOM 496 C SER A 808 -9.469 -0.462 -6.059 1.00 0.00 C ATOM 497 O SER A 808 -9.268 0.539 -6.746 1.00 0.00 O ATOM 498 CB SER A 808 -9.289 0.206 -3.651 1.00 0.00 C ATOM 499 OG SER A 808 -9.217 -0.659 -2.531 1.00 0.00 O ATOM 0 H SER A 808 -10.184 -2.122 -3.576 1.00 0.00 H new ATOM 0 HA SER A 808 -11.065 0.301 -4.855 1.00 0.00 H new ATOM 0 HB2 SER A 808 -8.292 0.355 -4.064 1.00 0.00 H new ATOM 0 HB3 SER A 808 -9.653 1.184 -3.337 1.00 0.00 H new ATOM 0 HG SER A 808 -8.620 -0.273 -1.857 1.00 0.00 H new ATOM 505 N GLY A 809 -9.066 -1.673 -6.419 1.00 0.00 N ATOM 506 CA GLY A 809 -8.357 -1.878 -7.665 1.00 0.00 C ATOM 507 C GLY A 809 -6.860 -1.727 -7.505 1.00 0.00 C ATOM 508 O GLY A 809 -6.168 -1.276 -8.418 1.00 0.00 O ATOM 0 H GLY A 809 -9.218 -2.518 -5.869 1.00 0.00 H new ATOM 0 HA2 GLY A 809 -8.581 -2.874 -8.048 1.00 0.00 H new ATOM 0 HA3 GLY A 809 -8.715 -1.163 -8.406 1.00 0.00 H new ATOM 512 N TYR A 810 -6.355 -2.094 -6.335 1.00 0.00 N ATOM 513 CA TYR A 810 -4.924 -2.016 -6.067 1.00 0.00 C ATOM 514 C TYR A 810 -4.272 -3.387 -6.207 1.00 0.00 C ATOM 515 O TYR A 810 -3.110 -3.573 -5.844 1.00 0.00 O ATOM 516 CB TYR A 810 -4.672 -1.463 -4.666 1.00 0.00 C ATOM 517 CG TYR A 810 -4.893 0.030 -4.547 1.00 0.00 C ATOM 518 CD1 TYR A 810 -4.350 0.911 -5.477 1.00 0.00 C ATOM 519 CD2 TYR A 810 -5.638 0.559 -3.502 1.00 0.00 C ATOM 520 CE1 TYR A 810 -4.545 2.275 -5.367 1.00 0.00 C ATOM 521 CE2 TYR A 810 -5.837 1.921 -3.386 1.00 0.00 C ATOM 522 CZ TYR A 810 -5.289 2.775 -4.320 1.00 0.00 C ATOM 523 OH TYR A 810 -5.485 4.133 -4.203 1.00 0.00 O ATOM 0 H TYR A 810 -6.913 -2.448 -5.558 1.00 0.00 H new ATOM 0 HA TYR A 810 -4.480 -1.342 -6.800 1.00 0.00 H new ATOM 0 HB2 TYR A 810 -5.327 -1.975 -3.961 1.00 0.00 H new ATOM 0 HB3 TYR A 810 -3.647 -1.693 -4.374 1.00 0.00 H new ATOM 0 HD1 TYR A 810 -3.766 0.523 -6.299 1.00 0.00 H new ATOM 0 HD2 TYR A 810 -6.069 -0.105 -2.768 1.00 0.00 H new ATOM 0 HE1 TYR A 810 -4.117 2.945 -6.097 1.00 0.00 H new ATOM 0 HE2 TYR A 810 -6.420 2.316 -2.567 1.00 0.00 H new ATOM 0 HH TYR A 810 -6.032 4.318 -3.411 1.00 0.00 H new ATOM 533 N TYR A 811 -5.027 -4.334 -6.754 1.00 0.00 N ATOM 534 CA TYR A 811 -4.560 -5.708 -6.927 1.00 0.00 C ATOM 535 C TYR A 811 -3.282 -5.747 -7.758 1.00 0.00 C ATOM 536 O TYR A 811 -2.345 -6.482 -7.443 1.00 0.00 O ATOM 537 CB TYR A 811 -5.645 -6.542 -7.611 1.00 0.00 C ATOM 538 CG TYR A 811 -5.900 -7.888 -6.974 1.00 0.00 C ATOM 539 CD1 TYR A 811 -5.411 -8.195 -5.709 1.00 0.00 C ATOM 540 CD2 TYR A 811 -6.647 -8.850 -7.640 1.00 0.00 C ATOM 541 CE1 TYR A 811 -5.657 -9.425 -5.130 1.00 0.00 C ATOM 542 CE2 TYR A 811 -6.903 -10.078 -7.067 1.00 0.00 C ATOM 543 CZ TYR A 811 -6.406 -10.363 -5.812 1.00 0.00 C ATOM 544 OH TYR A 811 -6.671 -11.582 -5.235 1.00 0.00 O ATOM 0 H TYR A 811 -5.977 -4.173 -7.089 1.00 0.00 H new ATOM 0 HA TYR A 811 -4.345 -6.124 -5.943 1.00 0.00 H new ATOM 0 HB2 TYR A 811 -6.575 -5.973 -7.612 1.00 0.00 H new ATOM 0 HB3 TYR A 811 -5.364 -6.695 -8.653 1.00 0.00 H new ATOM 0 HD1 TYR A 811 -4.830 -7.461 -5.171 1.00 0.00 H new ATOM 0 HD2 TYR A 811 -7.035 -8.633 -8.624 1.00 0.00 H new ATOM 0 HE1 TYR A 811 -5.266 -9.652 -4.149 1.00 0.00 H new ATOM 0 HE2 TYR A 811 -7.490 -10.813 -7.598 1.00 0.00 H new ATOM 0 HH TYR A 811 -5.854 -11.933 -4.823 1.00 0.00 H new ATOM 554 N ALA A 812 -3.254 -4.934 -8.809 1.00 0.00 N ATOM 555 CA ALA A 812 -2.119 -4.882 -9.720 1.00 0.00 C ATOM 556 C ALA A 812 -0.834 -4.505 -8.991 1.00 0.00 C ATOM 557 O ALA A 812 0.202 -5.145 -9.176 1.00 0.00 O ATOM 558 CB ALA A 812 -2.392 -3.898 -10.846 1.00 0.00 C ATOM 0 H ALA A 812 -4.013 -4.297 -9.051 1.00 0.00 H new ATOM 0 HA ALA A 812 -1.984 -5.878 -10.141 1.00 0.00 H new ATOM 0 HB1 ALA A 812 -1.535 -3.869 -11.520 1.00 0.00 H new ATOM 0 HB2 ALA A 812 -3.277 -4.213 -11.398 1.00 0.00 H new ATOM 0 HB3 ALA A 812 -2.559 -2.905 -10.429 1.00 0.00 H new ATOM 564 N LEU A 813 -0.911 -3.485 -8.143 1.00 0.00 N ATOM 565 CA LEU A 813 0.260 -3.000 -7.419 1.00 0.00 C ATOM 566 C LEU A 813 0.633 -3.965 -6.301 1.00 0.00 C ATOM 567 O LEU A 813 1.809 -4.121 -5.963 1.00 0.00 O ATOM 568 CB LEU A 813 -0.011 -1.607 -6.845 1.00 0.00 C ATOM 569 CG LEU A 813 0.264 -0.447 -7.801 1.00 0.00 C ATOM 570 CD1 LEU A 813 -0.954 0.458 -7.908 1.00 0.00 C ATOM 571 CD2 LEU A 813 1.479 0.344 -7.341 1.00 0.00 C ATOM 0 H LEU A 813 -1.772 -2.977 -7.940 1.00 0.00 H new ATOM 0 HA LEU A 813 1.095 -2.937 -8.116 1.00 0.00 H new ATOM 0 HB2 LEU A 813 -1.053 -1.558 -6.529 1.00 0.00 H new ATOM 0 HB3 LEU A 813 0.600 -1.474 -5.952 1.00 0.00 H new ATOM 0 HG LEU A 813 0.473 -0.857 -8.789 1.00 0.00 H new ATOM 0 HD11 LEU A 813 -0.739 1.278 -8.593 1.00 0.00 H new ATOM 0 HD12 LEU A 813 -1.802 -0.115 -8.283 1.00 0.00 H new ATOM 0 HD13 LEU A 813 -1.196 0.861 -6.924 1.00 0.00 H new ATOM 0 HD21 LEU A 813 1.661 1.166 -8.033 1.00 0.00 H new ATOM 0 HD22 LEU A 813 1.297 0.743 -6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 813 2.351 -0.310 -7.317 1.00 0.00 H new ATOM 583 N PHE A 814 -0.378 -4.625 -5.751 1.00 0.00 N ATOM 584 CA PHE A 814 -0.190 -5.566 -4.657 1.00 0.00 C ATOM 585 C PHE A 814 0.709 -6.726 -5.081 1.00 0.00 C ATOM 586 O PHE A 814 1.711 -7.017 -4.429 1.00 0.00 O ATOM 587 CB PHE A 814 -1.554 -6.083 -4.190 1.00 0.00 C ATOM 588 CG PHE A 814 -1.496 -7.315 -3.334 1.00 0.00 C ATOM 589 CD1 PHE A 814 -0.986 -7.262 -2.048 1.00 0.00 C ATOM 590 CD2 PHE A 814 -1.966 -8.526 -3.815 1.00 0.00 C ATOM 591 CE1 PHE A 814 -0.945 -8.394 -1.261 1.00 0.00 C ATOM 592 CE2 PHE A 814 -1.925 -9.661 -3.033 1.00 0.00 C ATOM 593 CZ PHE A 814 -1.414 -9.595 -1.754 1.00 0.00 C ATOM 0 H PHE A 814 -1.348 -4.523 -6.050 1.00 0.00 H new ATOM 0 HA PHE A 814 0.302 -5.052 -3.831 1.00 0.00 H new ATOM 0 HB2 PHE A 814 -2.056 -5.292 -3.632 1.00 0.00 H new ATOM 0 HB3 PHE A 814 -2.167 -6.294 -5.066 1.00 0.00 H new ATOM 0 HD1 PHE A 814 -0.617 -6.325 -1.657 1.00 0.00 H new ATOM 0 HD2 PHE A 814 -2.370 -8.582 -4.815 1.00 0.00 H new ATOM 0 HE1 PHE A 814 -0.546 -8.341 -0.259 1.00 0.00 H new ATOM 0 HE2 PHE A 814 -2.292 -10.599 -3.421 1.00 0.00 H new ATOM 0 HZ PHE A 814 -1.381 -10.482 -1.139 1.00 0.00 H new ATOM 603 N VAL A 815 0.362 -7.369 -6.189 1.00 0.00 N ATOM 604 CA VAL A 815 1.125 -8.515 -6.672 1.00 0.00 C ATOM 605 C VAL A 815 2.379 -8.074 -7.421 1.00 0.00 C ATOM 606 O VAL A 815 3.177 -8.904 -7.861 1.00 0.00 O ATOM 607 CB VAL A 815 0.279 -9.423 -7.594 1.00 0.00 C ATOM 608 CG1 VAL A 815 -0.871 -10.053 -6.824 1.00 0.00 C ATOM 609 CG2 VAL A 815 -0.244 -8.647 -8.792 1.00 0.00 C ATOM 0 H VAL A 815 -0.439 -7.119 -6.768 1.00 0.00 H new ATOM 0 HA VAL A 815 1.415 -9.084 -5.789 1.00 0.00 H new ATOM 0 HB VAL A 815 0.925 -10.221 -7.961 1.00 0.00 H new ATOM 0 HG11 VAL A 815 -1.452 -10.688 -7.493 1.00 0.00 H new ATOM 0 HG12 VAL A 815 -0.475 -10.655 -6.006 1.00 0.00 H new ATOM 0 HG13 VAL A 815 -1.511 -9.269 -6.420 1.00 0.00 H new ATOM 0 HG21 VAL A 815 -0.836 -9.309 -9.424 1.00 0.00 H new ATOM 0 HG22 VAL A 815 -0.867 -7.822 -8.447 1.00 0.00 H new ATOM 0 HG23 VAL A 815 0.595 -8.253 -9.365 1.00 0.00 H new ATOM 619 N ASP A 816 2.556 -6.770 -7.554 1.00 0.00 N ATOM 620 CA ASP A 816 3.703 -6.234 -8.265 1.00 0.00 C ATOM 621 C ASP A 816 4.848 -5.934 -7.308 1.00 0.00 C ATOM 622 O ASP A 816 5.893 -6.581 -7.355 1.00 0.00 O ATOM 623 CB ASP A 816 3.325 -4.962 -9.030 1.00 0.00 C ATOM 624 CG ASP A 816 4.527 -4.295 -9.672 1.00 0.00 C ATOM 625 OD1 ASP A 816 4.970 -4.760 -10.741 1.00 0.00 O ATOM 626 OD2 ASP A 816 5.036 -3.303 -9.108 1.00 0.00 O ATOM 0 H ASP A 816 1.921 -6.065 -7.180 1.00 0.00 H new ATOM 0 HA ASP A 816 4.030 -6.992 -8.977 1.00 0.00 H new ATOM 0 HB2 ASP A 816 2.595 -5.208 -9.801 1.00 0.00 H new ATOM 0 HB3 ASP A 816 2.845 -4.260 -8.348 1.00 0.00 H new ATOM 631 N THR A 817 4.636 -4.975 -6.416 1.00 0.00 N ATOM 632 CA THR A 817 5.724 -4.457 -5.605 1.00 0.00 C ATOM 633 C THR A 817 6.040 -5.347 -4.401 1.00 0.00 C ATOM 634 O THR A 817 7.206 -5.612 -4.130 1.00 0.00 O ATOM 635 CB THR A 817 5.456 -2.990 -5.161 1.00 0.00 C ATOM 636 OG1 THR A 817 6.687 -2.255 -5.123 1.00 0.00 O ATOM 637 CG2 THR A 817 4.772 -2.895 -3.802 1.00 0.00 C ATOM 0 H THR A 817 3.728 -4.545 -6.238 1.00 0.00 H new ATOM 0 HA THR A 817 6.609 -4.463 -6.241 1.00 0.00 H new ATOM 0 HB THR A 817 4.778 -2.561 -5.899 1.00 0.00 H new ATOM 0 HG1 THR A 817 7.151 -2.437 -4.279 1.00 0.00 H new ATOM 0 HG21 THR A 817 4.612 -1.847 -3.548 1.00 0.00 H new ATOM 0 HG22 THR A 817 3.812 -3.410 -3.841 1.00 0.00 H new ATOM 0 HG23 THR A 817 5.402 -3.360 -3.044 1.00 0.00 H new ATOM 645 N VAL A 818 5.019 -5.859 -3.715 1.00 0.00 N ATOM 646 CA VAL A 818 5.239 -6.494 -2.418 1.00 0.00 C ATOM 647 C VAL A 818 6.121 -7.746 -2.515 1.00 0.00 C ATOM 648 O VAL A 818 7.171 -7.799 -1.873 1.00 0.00 O ATOM 649 CB VAL A 818 3.921 -6.841 -1.695 1.00 0.00 C ATOM 650 CG1 VAL A 818 4.197 -7.181 -0.240 1.00 0.00 C ATOM 651 CG2 VAL A 818 2.930 -5.691 -1.789 1.00 0.00 C ATOM 0 H VAL A 818 4.049 -5.847 -4.029 1.00 0.00 H new ATOM 0 HA VAL A 818 5.768 -5.748 -1.824 1.00 0.00 H new ATOM 0 HB VAL A 818 3.480 -7.709 -2.185 1.00 0.00 H new ATOM 0 HG11 VAL A 818 3.260 -7.424 0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 818 4.869 -8.037 -0.188 1.00 0.00 H new ATOM 0 HG13 VAL A 818 4.660 -6.326 0.252 1.00 0.00 H new ATOM 0 HG21 VAL A 818 2.009 -5.961 -1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 818 3.359 -4.802 -1.326 1.00 0.00 H new ATOM 0 HG23 VAL A 818 2.710 -5.485 -2.837 1.00 0.00 H new ATOM 661 N PRO A 819 5.734 -8.764 -3.317 1.00 0.00 N ATOM 662 CA PRO A 819 6.497 -10.020 -3.413 1.00 0.00 C ATOM 663 C PRO A 819 7.972 -9.798 -3.757 1.00 0.00 C ATOM 664 O PRO A 819 8.861 -10.412 -3.163 1.00 0.00 O ATOM 665 CB PRO A 819 5.794 -10.782 -4.540 1.00 0.00 C ATOM 666 CG PRO A 819 4.409 -10.239 -4.554 1.00 0.00 C ATOM 667 CD PRO A 819 4.536 -8.790 -4.177 1.00 0.00 C ATOM 0 HA PRO A 819 6.511 -10.552 -2.462 1.00 0.00 H new ATOM 0 HB2 PRO A 819 6.292 -10.623 -5.497 1.00 0.00 H new ATOM 0 HB3 PRO A 819 5.797 -11.856 -4.354 1.00 0.00 H new ATOM 0 HG2 PRO A 819 3.955 -10.349 -5.539 1.00 0.00 H new ATOM 0 HG3 PRO A 819 3.772 -10.773 -3.849 1.00 0.00 H new ATOM 0 HD2 PRO A 819 4.658 -8.156 -5.055 1.00 0.00 H new ATOM 0 HD3 PRO A 819 3.653 -8.434 -3.647 1.00 0.00 H new ATOM 675 N ASP A 820 8.235 -8.899 -4.697 1.00 0.00 N ATOM 676 CA ASP A 820 9.599 -8.678 -5.162 1.00 0.00 C ATOM 677 C ASP A 820 10.360 -7.726 -4.244 1.00 0.00 C ATOM 678 O ASP A 820 11.585 -7.799 -4.142 1.00 0.00 O ATOM 679 CB ASP A 820 9.614 -8.164 -6.600 1.00 0.00 C ATOM 680 CG ASP A 820 10.623 -8.913 -7.446 1.00 0.00 C ATOM 681 OD1 ASP A 820 10.286 -9.996 -7.962 1.00 0.00 O ATOM 682 OD2 ASP A 820 11.765 -8.431 -7.584 1.00 0.00 O ATOM 0 H ASP A 820 7.530 -8.316 -5.149 1.00 0.00 H new ATOM 0 HA ASP A 820 10.108 -9.642 -5.137 1.00 0.00 H new ATOM 0 HB2 ASP A 820 8.621 -8.271 -7.036 1.00 0.00 H new ATOM 0 HB3 ASP A 820 9.851 -7.100 -6.605 1.00 0.00 H new ATOM 687 N ASP A 821 9.641 -6.841 -3.567 1.00 0.00 N ATOM 688 CA ASP A 821 10.264 -5.957 -2.587 1.00 0.00 C ATOM 689 C ASP A 821 10.679 -6.760 -1.366 1.00 0.00 C ATOM 690 O ASP A 821 11.739 -6.529 -0.788 1.00 0.00 O ATOM 691 CB ASP A 821 9.322 -4.821 -2.181 1.00 0.00 C ATOM 692 CG ASP A 821 9.531 -3.573 -3.021 1.00 0.00 C ATOM 693 OD1 ASP A 821 10.684 -3.308 -3.425 1.00 0.00 O ATOM 694 OD2 ASP A 821 8.546 -2.856 -3.294 1.00 0.00 O ATOM 0 H ASP A 821 8.635 -6.715 -3.676 1.00 0.00 H new ATOM 0 HA ASP A 821 11.146 -5.507 -3.043 1.00 0.00 H new ATOM 0 HB2 ASP A 821 8.289 -5.155 -2.281 1.00 0.00 H new ATOM 0 HB3 ASP A 821 9.479 -4.580 -1.130 1.00 0.00 H new ATOM 699 N VAL A 822 9.839 -7.723 -0.988 1.00 0.00 N ATOM 700 CA VAL A 822 10.170 -8.658 0.083 1.00 0.00 C ATOM 701 C VAL A 822 11.381 -9.498 -0.320 1.00 0.00 C ATOM 702 O VAL A 822 12.254 -9.785 0.500 1.00 0.00 O ATOM 703 CB VAL A 822 8.974 -9.582 0.425 1.00 0.00 C ATOM 704 CG1 VAL A 822 9.396 -10.719 1.347 1.00 0.00 C ATOM 705 CG2 VAL A 822 7.850 -8.781 1.058 1.00 0.00 C ATOM 0 H VAL A 822 8.923 -7.875 -1.410 1.00 0.00 H new ATOM 0 HA VAL A 822 10.407 -8.078 0.975 1.00 0.00 H new ATOM 0 HB VAL A 822 8.615 -10.021 -0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 822 8.534 -11.348 1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 822 10.166 -11.317 0.859 1.00 0.00 H new ATOM 0 HG13 VAL A 822 9.791 -10.307 2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 822 7.018 -9.445 1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 822 8.209 -8.312 1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 822 7.516 -8.011 0.363 1.00 0.00 H new ATOM 715 N LYS A 823 11.424 -9.879 -1.593 1.00 0.00 N ATOM 716 CA LYS A 823 12.586 -10.553 -2.166 1.00 0.00 C ATOM 717 C LYS A 823 13.850 -9.725 -1.942 1.00 0.00 C ATOM 718 O LYS A 823 14.858 -10.239 -1.473 1.00 0.00 O ATOM 719 CB LYS A 823 12.373 -10.762 -3.664 1.00 0.00 C ATOM 720 CG LYS A 823 12.562 -12.191 -4.135 1.00 0.00 C ATOM 721 CD LYS A 823 12.367 -12.296 -5.639 1.00 0.00 C ATOM 722 CE LYS A 823 13.629 -11.914 -6.396 1.00 0.00 C ATOM 723 NZ LYS A 823 13.470 -10.648 -7.169 1.00 0.00 N ATOM 0 H LYS A 823 10.661 -9.731 -2.253 1.00 0.00 H new ATOM 0 HA LYS A 823 12.706 -11.518 -1.674 1.00 0.00 H new ATOM 0 HB2 LYS A 823 11.365 -10.438 -3.923 1.00 0.00 H new ATOM 0 HB3 LYS A 823 13.064 -10.119 -4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 823 13.561 -12.537 -3.869 1.00 0.00 H new ATOM 0 HG3 LYS A 823 11.852 -12.843 -3.626 1.00 0.00 H new ATOM 0 HD2 LYS A 823 12.081 -13.315 -5.899 1.00 0.00 H new ATOM 0 HD3 LYS A 823 11.547 -11.647 -5.946 1.00 0.00 H new ATOM 0 HE2 LYS A 823 14.453 -11.804 -5.691 1.00 0.00 H new ATOM 0 HE3 LYS A 823 13.898 -12.721 -7.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 823 14.402 -10.207 -7.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 823 13.043 -10.857 -8.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 823 12.854 -9.995 -6.643 1.00 0.00 H new ATOM 737 N ARG A 824 13.778 -8.440 -2.273 1.00 0.00 N ATOM 738 CA ARG A 824 14.908 -7.534 -2.089 1.00 0.00 C ATOM 739 C ARG A 824 15.259 -7.397 -0.610 1.00 0.00 C ATOM 740 O ARG A 824 16.432 -7.352 -0.249 1.00 0.00 O ATOM 741 CB ARG A 824 14.594 -6.163 -2.681 1.00 0.00 C ATOM 742 CG ARG A 824 15.489 -5.793 -3.853 1.00 0.00 C ATOM 743 CD ARG A 824 14.757 -4.933 -4.877 1.00 0.00 C ATOM 744 NE ARG A 824 13.748 -4.066 -4.262 1.00 0.00 N ATOM 745 CZ ARG A 824 14.024 -2.913 -3.645 1.00 0.00 C ATOM 746 NH1 ARG A 824 15.273 -2.476 -3.566 1.00 0.00 N ATOM 747 NH2 ARG A 824 13.045 -2.200 -3.107 1.00 0.00 N ATOM 0 H ARG A 824 12.948 -8.001 -2.671 1.00 0.00 H new ATOM 0 HA ARG A 824 15.767 -7.955 -2.611 1.00 0.00 H new ATOM 0 HB2 ARG A 824 13.554 -6.146 -3.008 1.00 0.00 H new ATOM 0 HB3 ARG A 824 14.696 -5.407 -1.902 1.00 0.00 H new ATOM 0 HG2 ARG A 824 16.364 -5.256 -3.487 1.00 0.00 H new ATOM 0 HG3 ARG A 824 15.851 -6.701 -4.334 1.00 0.00 H new ATOM 0 HD2 ARG A 824 15.480 -4.319 -5.415 1.00 0.00 H new ATOM 0 HD3 ARG A 824 14.277 -5.579 -5.613 1.00 0.00 H new ATOM 0 HE ARG A 824 12.773 -4.361 -4.308 1.00 0.00 H new ATOM 0 HH11 ARG A 824 16.031 -3.021 -3.978 1.00 0.00 H new ATOM 0 HH12 ARG A 824 15.476 -1.595 -3.094 1.00 0.00 H new ATOM 0 HH21 ARG A 824 12.082 -2.531 -3.164 1.00 0.00 H new ATOM 0 HH22 ARG A 824 13.255 -1.320 -2.636 1.00 0.00 H new ATOM 761 N LEU A 825 14.236 -7.336 0.242 1.00 0.00 N ATOM 762 CA LEU A 825 14.445 -7.331 1.687 1.00 0.00 C ATOM 763 C LEU A 825 15.272 -8.546 2.094 1.00 0.00 C ATOM 764 O LEU A 825 16.206 -8.442 2.883 1.00 0.00 O ATOM 765 CB LEU A 825 13.106 -7.344 2.429 1.00 0.00 C ATOM 766 CG LEU A 825 12.512 -5.967 2.732 1.00 0.00 C ATOM 767 CD1 LEU A 825 11.012 -5.966 2.481 1.00 0.00 C ATOM 768 CD2 LEU A 825 12.810 -5.560 4.166 1.00 0.00 C ATOM 0 H LEU A 825 13.258 -7.290 -0.043 1.00 0.00 H new ATOM 0 HA LEU A 825 14.981 -6.420 1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 825 12.387 -7.909 1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 825 13.236 -7.880 3.369 1.00 0.00 H new ATOM 0 HG LEU A 825 12.975 -5.240 2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 825 10.607 -4.978 2.702 1.00 0.00 H new ATOM 0 HD12 LEU A 825 10.818 -6.213 1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 825 10.535 -6.706 3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 825 12.380 -4.578 4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 825 12.376 -6.290 4.849 1.00 0.00 H new ATOM 0 HD23 LEU A 825 13.889 -5.520 4.316 1.00 0.00 H new ATOM 780 N TYR A 826 14.928 -9.692 1.520 1.00 0.00 N ATOM 781 CA TYR A 826 15.653 -10.935 1.754 1.00 0.00 C ATOM 782 C TYR A 826 17.112 -10.798 1.312 1.00 0.00 C ATOM 783 O TYR A 826 18.038 -11.209 2.025 1.00 0.00 O ATOM 784 CB TYR A 826 14.974 -12.077 0.984 1.00 0.00 C ATOM 785 CG TYR A 826 13.773 -12.672 1.686 1.00 0.00 C ATOM 786 CD1 TYR A 826 13.727 -12.779 3.071 1.00 0.00 C ATOM 787 CD2 TYR A 826 12.682 -13.126 0.956 1.00 0.00 C ATOM 788 CE1 TYR A 826 12.624 -13.322 3.709 1.00 0.00 C ATOM 789 CE2 TYR A 826 11.576 -13.668 1.586 1.00 0.00 C ATOM 790 CZ TYR A 826 11.551 -13.765 2.961 1.00 0.00 C ATOM 791 OH TYR A 826 10.448 -14.304 3.589 1.00 0.00 O ATOM 0 H TYR A 826 14.140 -9.786 0.880 1.00 0.00 H new ATOM 0 HA TYR A 826 15.638 -11.158 2.821 1.00 0.00 H new ATOM 0 HB2 TYR A 826 14.663 -11.707 0.007 1.00 0.00 H new ATOM 0 HB3 TYR A 826 15.705 -12.866 0.808 1.00 0.00 H new ATOM 0 HD1 TYR A 826 14.564 -12.433 3.659 1.00 0.00 H new ATOM 0 HD2 TYR A 826 12.697 -13.055 -0.122 1.00 0.00 H new ATOM 0 HE1 TYR A 826 12.603 -13.399 4.786 1.00 0.00 H new ATOM 0 HE2 TYR A 826 10.735 -14.014 1.003 1.00 0.00 H new ATOM 0 HH TYR A 826 9.784 -14.564 2.917 1.00 0.00 H new ATOM 801 N THR A 827 17.310 -10.174 0.158 1.00 0.00 N ATOM 802 CA THR A 827 18.625 -10.040 -0.432 1.00 0.00 C ATOM 803 C THR A 827 19.473 -9.072 0.375 1.00 0.00 C ATOM 804 O THR A 827 20.631 -9.349 0.681 1.00 0.00 O ATOM 805 CB THR A 827 18.519 -9.539 -1.886 1.00 0.00 C ATOM 806 OG1 THR A 827 17.377 -10.127 -2.515 1.00 0.00 O ATOM 807 CG2 THR A 827 19.765 -9.880 -2.685 1.00 0.00 C ATOM 0 H THR A 827 16.562 -9.749 -0.390 1.00 0.00 H new ATOM 0 HA THR A 827 19.098 -11.022 -0.427 1.00 0.00 H new ATOM 0 HB THR A 827 18.417 -8.454 -1.860 1.00 0.00 H new ATOM 0 HG1 THR A 827 17.311 -9.806 -3.438 1.00 0.00 H new ATOM 0 HG21 THR A 827 19.655 -9.512 -3.705 1.00 0.00 H new ATOM 0 HG22 THR A 827 20.634 -9.412 -2.222 1.00 0.00 H new ATOM 0 HG23 THR A 827 19.902 -10.961 -2.702 1.00 0.00 H new ATOM 815 N GLU A 828 18.874 -7.950 0.738 1.00 0.00 N ATOM 816 CA GLU A 828 19.572 -6.906 1.461 1.00 0.00 C ATOM 817 C GLU A 828 19.830 -7.306 2.909 1.00 0.00 C ATOM 818 O GLU A 828 20.801 -6.855 3.516 1.00 0.00 O ATOM 819 CB GLU A 828 18.792 -5.595 1.379 1.00 0.00 C ATOM 820 CG GLU A 828 19.277 -4.721 0.243 1.00 0.00 C ATOM 821 CD GLU A 828 18.282 -4.586 -0.889 1.00 0.00 C ATOM 822 OE1 GLU A 828 18.328 -5.416 -1.820 1.00 0.00 O ATOM 823 OE2 GLU A 828 17.484 -3.629 -0.883 1.00 0.00 O ATOM 0 H GLU A 828 17.896 -7.740 0.540 1.00 0.00 H new ATOM 0 HA GLU A 828 20.545 -6.759 0.991 1.00 0.00 H new ATOM 0 HB2 GLU A 828 17.732 -5.811 1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 828 18.890 -5.055 2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 828 19.508 -3.729 0.632 1.00 0.00 H new ATOM 0 HG3 GLU A 828 20.207 -5.133 -0.149 1.00 0.00 H new ATOM 830 N ALA A 829 18.970 -8.159 3.456 1.00 0.00 N ATOM 831 CA ALA A 829 19.198 -8.720 4.779 1.00 0.00 C ATOM 832 C ALA A 829 20.427 -9.617 4.750 1.00 0.00 C ATOM 833 O ALA A 829 21.250 -9.591 5.662 1.00 0.00 O ATOM 834 CB ALA A 829 17.980 -9.500 5.255 1.00 0.00 C ATOM 0 H ALA A 829 18.112 -8.475 3.004 1.00 0.00 H new ATOM 0 HA ALA A 829 19.368 -7.904 5.481 1.00 0.00 H new ATOM 0 HB1 ALA A 829 18.175 -9.910 6.246 1.00 0.00 H new ATOM 0 HB2 ALA A 829 17.117 -8.835 5.300 1.00 0.00 H new ATOM 0 HB3 ALA A 829 17.775 -10.314 4.560 1.00 0.00 H new ATOM 840 N ALA A 830 20.553 -10.394 3.678 1.00 0.00 N ATOM 841 CA ALA A 830 21.711 -11.262 3.495 1.00 0.00 C ATOM 842 C ALA A 830 23.000 -10.446 3.380 1.00 0.00 C ATOM 843 O ALA A 830 24.041 -10.835 3.907 1.00 0.00 O ATOM 844 CB ALA A 830 21.525 -12.142 2.266 1.00 0.00 C ATOM 0 H ALA A 830 19.868 -10.440 2.924 1.00 0.00 H new ATOM 0 HA ALA A 830 21.796 -11.901 4.374 1.00 0.00 H new ATOM 0 HB1 ALA A 830 22.397 -12.784 2.143 1.00 0.00 H new ATOM 0 HB2 ALA A 830 20.635 -12.759 2.392 1.00 0.00 H new ATOM 0 HB3 ALA A 830 21.409 -11.514 1.383 1.00 0.00 H new ATOM 850 N THR A 831 22.922 -9.307 2.700 1.00 0.00 N ATOM 851 CA THR A 831 24.077 -8.424 2.550 1.00 0.00 C ATOM 852 C THR A 831 24.293 -7.571 3.807 1.00 0.00 C ATOM 853 O THR A 831 25.306 -6.882 3.937 1.00 0.00 O ATOM 854 CB THR A 831 23.908 -7.505 1.326 1.00 0.00 C ATOM 855 OG1 THR A 831 23.056 -8.138 0.362 1.00 0.00 O ATOM 856 CG2 THR A 831 25.252 -7.197 0.685 1.00 0.00 C ATOM 0 H THR A 831 22.073 -8.972 2.244 1.00 0.00 H new ATOM 0 HA THR A 831 24.952 -9.057 2.404 1.00 0.00 H new ATOM 0 HB THR A 831 23.461 -6.569 1.661 1.00 0.00 H new ATOM 0 HG1 THR A 831 22.948 -7.551 -0.415 1.00 0.00 H new ATOM 0 HG21 THR A 831 25.104 -6.546 -0.177 1.00 0.00 H new ATOM 0 HG22 THR A 831 25.895 -6.698 1.410 1.00 0.00 H new ATOM 0 HG23 THR A 831 25.722 -8.126 0.362 1.00 0.00 H new ATOM 864 N SER A 832 23.323 -7.625 4.719 1.00 0.00 N ATOM 865 CA SER A 832 23.386 -6.906 5.986 1.00 0.00 C ATOM 866 C SER A 832 23.377 -5.395 5.775 1.00 0.00 C ATOM 867 O SER A 832 23.912 -4.640 6.586 1.00 0.00 O ATOM 868 CB SER A 832 24.615 -7.333 6.792 1.00 0.00 C ATOM 869 OG SER A 832 24.656 -8.742 6.943 1.00 0.00 O ATOM 0 H SER A 832 22.470 -8.171 4.597 1.00 0.00 H new ATOM 0 HA SER A 832 22.493 -7.165 6.555 1.00 0.00 H new ATOM 0 HB2 SER A 832 25.520 -6.990 6.291 1.00 0.00 H new ATOM 0 HB3 SER A 832 24.594 -6.858 7.773 1.00 0.00 H new ATOM 0 HG SER A 832 25.450 -8.993 7.460 1.00 0.00 H new ATOM 875 N ASP A 833 22.749 -4.954 4.692 1.00 0.00 N ATOM 876 CA ASP A 833 22.563 -3.529 4.463 1.00 0.00 C ATOM 877 C ASP A 833 21.303 -3.084 5.185 1.00 0.00 C ATOM 878 O ASP A 833 20.255 -2.878 4.575 1.00 0.00 O ATOM 879 CB ASP A 833 22.474 -3.196 2.968 1.00 0.00 C ATOM 880 CG ASP A 833 22.744 -1.725 2.683 1.00 0.00 C ATOM 881 OD1 ASP A 833 22.463 -0.877 3.557 1.00 0.00 O ATOM 882 OD2 ASP A 833 23.239 -1.410 1.580 1.00 0.00 O ATOM 0 H ASP A 833 22.364 -5.557 3.965 1.00 0.00 H new ATOM 0 HA ASP A 833 23.429 -2.994 4.853 1.00 0.00 H new ATOM 0 HB2 ASP A 833 23.191 -3.807 2.419 1.00 0.00 H new ATOM 0 HB3 ASP A 833 21.483 -3.459 2.599 1.00 0.00 H new ATOM 887 N PHE A 834 21.416 -2.973 6.498 1.00 0.00 N ATOM 888 CA PHE A 834 20.281 -2.662 7.359 1.00 0.00 C ATOM 889 C PHE A 834 19.671 -1.304 7.036 1.00 0.00 C ATOM 890 O PHE A 834 18.470 -1.103 7.212 1.00 0.00 O ATOM 891 CB PHE A 834 20.702 -2.728 8.828 1.00 0.00 C ATOM 892 CG PHE A 834 21.343 -4.035 9.202 1.00 0.00 C ATOM 893 CD1 PHE A 834 20.610 -5.211 9.188 1.00 0.00 C ATOM 894 CD2 PHE A 834 22.680 -4.087 9.563 1.00 0.00 C ATOM 895 CE1 PHE A 834 21.198 -6.413 9.526 1.00 0.00 C ATOM 896 CE2 PHE A 834 23.274 -5.289 9.901 1.00 0.00 C ATOM 897 CZ PHE A 834 22.532 -6.453 9.883 1.00 0.00 C ATOM 0 H PHE A 834 22.296 -3.095 7.000 1.00 0.00 H new ATOM 0 HA PHE A 834 19.511 -3.411 7.173 1.00 0.00 H new ATOM 0 HB2 PHE A 834 21.399 -1.916 9.036 1.00 0.00 H new ATOM 0 HB3 PHE A 834 19.827 -2.567 9.458 1.00 0.00 H new ATOM 0 HD1 PHE A 834 19.567 -5.187 8.909 1.00 0.00 H new ATOM 0 HD2 PHE A 834 23.264 -3.179 9.581 1.00 0.00 H new ATOM 0 HE1 PHE A 834 20.615 -7.322 9.511 1.00 0.00 H new ATOM 0 HE2 PHE A 834 24.317 -5.317 10.179 1.00 0.00 H new ATOM 0 HZ PHE A 834 22.993 -7.393 10.147 1.00 0.00 H new ATOM 907 N ALA A 835 20.486 -0.376 6.553 1.00 0.00 N ATOM 908 CA ALA A 835 19.970 0.917 6.130 1.00 0.00 C ATOM 909 C ALA A 835 18.998 0.733 4.971 1.00 0.00 C ATOM 910 O ALA A 835 17.938 1.363 4.921 1.00 0.00 O ATOM 911 CB ALA A 835 21.103 1.846 5.734 1.00 0.00 C ATOM 0 H ALA A 835 21.494 -0.492 6.445 1.00 0.00 H new ATOM 0 HA ALA A 835 19.440 1.372 6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 835 20.694 2.807 5.421 1.00 0.00 H new ATOM 0 HB2 ALA A 835 21.767 1.994 6.586 1.00 0.00 H new ATOM 0 HB3 ALA A 835 21.664 1.405 4.910 1.00 0.00 H new ATOM 917 N ALA A 836 19.345 -0.171 4.064 1.00 0.00 N ATOM 918 CA ALA A 836 18.505 -0.462 2.914 1.00 0.00 C ATOM 919 C ALA A 836 17.341 -1.343 3.336 1.00 0.00 C ATOM 920 O ALA A 836 16.225 -1.199 2.844 1.00 0.00 O ATOM 921 CB ALA A 836 19.312 -1.132 1.815 1.00 0.00 C ATOM 0 H ALA A 836 20.206 -0.716 4.105 1.00 0.00 H new ATOM 0 HA ALA A 836 18.113 0.475 2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 836 18.664 -1.341 0.964 1.00 0.00 H new ATOM 0 HB2 ALA A 836 20.120 -0.471 1.502 1.00 0.00 H new ATOM 0 HB3 ALA A 836 19.732 -2.066 2.189 1.00 0.00 H new ATOM 927 N LEU A 837 17.613 -2.246 4.267 1.00 0.00 N ATOM 928 CA LEU A 837 16.596 -3.106 4.833 1.00 0.00 C ATOM 929 C LEU A 837 15.465 -2.270 5.424 1.00 0.00 C ATOM 930 O LEU A 837 14.290 -2.510 5.144 1.00 0.00 O ATOM 931 CB LEU A 837 17.225 -3.996 5.904 1.00 0.00 C ATOM 932 CG LEU A 837 16.402 -5.213 6.296 1.00 0.00 C ATOM 933 CD1 LEU A 837 16.243 -6.154 5.115 1.00 0.00 C ATOM 934 CD2 LEU A 837 17.041 -5.931 7.473 1.00 0.00 C ATOM 0 H LEU A 837 18.547 -2.399 4.648 1.00 0.00 H new ATOM 0 HA LEU A 837 16.176 -3.736 4.049 1.00 0.00 H new ATOM 0 HB2 LEU A 837 18.198 -4.334 5.548 1.00 0.00 H new ATOM 0 HB3 LEU A 837 17.403 -3.395 6.795 1.00 0.00 H new ATOM 0 HG LEU A 837 15.411 -4.875 6.598 1.00 0.00 H new ATOM 0 HD11 LEU A 837 15.651 -7.019 5.416 1.00 0.00 H new ATOM 0 HD12 LEU A 837 15.738 -5.634 4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 837 17.226 -6.486 4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 837 16.439 -6.799 7.740 1.00 0.00 H new ATOM 0 HD22 LEU A 837 18.045 -6.256 7.200 1.00 0.00 H new ATOM 0 HD23 LEU A 837 17.098 -5.253 8.325 1.00 0.00 H new ATOM 946 N ALA A 838 15.833 -1.266 6.213 1.00 0.00 N ATOM 947 CA ALA A 838 14.860 -0.349 6.795 1.00 0.00 C ATOM 948 C ALA A 838 14.177 0.471 5.708 1.00 0.00 C ATOM 949 O ALA A 838 12.981 0.749 5.785 1.00 0.00 O ATOM 950 CB ALA A 838 15.532 0.564 7.810 1.00 0.00 C ATOM 0 H ALA A 838 16.801 -1.066 6.465 1.00 0.00 H new ATOM 0 HA ALA A 838 14.099 -0.936 7.309 1.00 0.00 H new ATOM 0 HB1 ALA A 838 14.792 1.242 8.235 1.00 0.00 H new ATOM 0 HB2 ALA A 838 15.972 -0.038 8.605 1.00 0.00 H new ATOM 0 HB3 ALA A 838 16.314 1.142 7.318 1.00 0.00 H new ATOM 956 N GLN A 839 14.944 0.847 4.686 1.00 0.00 N ATOM 957 CA GLN A 839 14.410 1.603 3.557 1.00 0.00 C ATOM 958 C GLN A 839 13.306 0.823 2.842 1.00 0.00 C ATOM 959 O GLN A 839 12.248 1.372 2.531 1.00 0.00 O ATOM 960 CB GLN A 839 15.525 1.949 2.571 1.00 0.00 C ATOM 961 CG GLN A 839 16.279 3.216 2.932 1.00 0.00 C ATOM 962 CD GLN A 839 15.884 4.394 2.068 1.00 0.00 C ATOM 963 OE1 GLN A 839 14.817 4.982 2.245 1.00 0.00 O ATOM 964 NE2 GLN A 839 16.744 4.744 1.130 1.00 0.00 N ATOM 0 H GLN A 839 15.940 0.639 4.618 1.00 0.00 H new ATOM 0 HA GLN A 839 13.980 2.525 3.948 1.00 0.00 H new ATOM 0 HB2 GLN A 839 16.228 1.118 2.524 1.00 0.00 H new ATOM 0 HB3 GLN A 839 15.097 2.061 1.575 1.00 0.00 H new ATOM 0 HG2 GLN A 839 16.094 3.459 3.978 1.00 0.00 H new ATOM 0 HG3 GLN A 839 17.350 3.039 2.831 1.00 0.00 H new ATOM 0 HE21 GLN A 839 17.617 4.227 1.020 1.00 0.00 H new ATOM 0 HE22 GLN A 839 16.536 5.531 0.515 1.00 0.00 H new ATOM 973 N THR A 840 13.550 -0.457 2.584 1.00 0.00 N ATOM 974 CA THR A 840 12.546 -1.309 1.957 1.00 0.00 C ATOM 975 C THR A 840 11.341 -1.502 2.873 1.00 0.00 C ATOM 976 O THR A 840 10.203 -1.577 2.410 1.00 0.00 O ATOM 977 CB THR A 840 13.127 -2.679 1.566 1.00 0.00 C ATOM 978 OG1 THR A 840 14.529 -2.554 1.310 1.00 0.00 O ATOM 979 CG2 THR A 840 12.432 -3.224 0.328 1.00 0.00 C ATOM 0 H THR A 840 14.430 -0.926 2.798 1.00 0.00 H new ATOM 0 HA THR A 840 12.222 -0.802 1.048 1.00 0.00 H new ATOM 0 HB THR A 840 12.965 -3.371 2.392 1.00 0.00 H new ATOM 0 HG1 THR A 840 15.001 -2.378 2.151 1.00 0.00 H new ATOM 0 HG21 THR A 840 12.858 -4.193 0.069 1.00 0.00 H new ATOM 0 HG22 THR A 840 11.367 -3.338 0.529 1.00 0.00 H new ATOM 0 HG23 THR A 840 12.573 -2.532 -0.502 1.00 0.00 H new ATOM 987 N ALA A 841 11.590 -1.569 4.177 1.00 0.00 N ATOM 988 CA ALA A 841 10.505 -1.652 5.149 1.00 0.00 C ATOM 989 C ALA A 841 9.679 -0.367 5.129 1.00 0.00 C ATOM 990 O ALA A 841 8.463 -0.393 5.311 1.00 0.00 O ATOM 991 CB ALA A 841 11.055 -1.915 6.542 1.00 0.00 C ATOM 0 H ALA A 841 12.526 -1.568 4.583 1.00 0.00 H new ATOM 0 HA ALA A 841 9.856 -2.485 4.877 1.00 0.00 H new ATOM 0 HB1 ALA A 841 10.231 -1.974 7.253 1.00 0.00 H new ATOM 0 HB2 ALA A 841 11.604 -2.856 6.545 1.00 0.00 H new ATOM 0 HB3 ALA A 841 11.724 -1.104 6.828 1.00 0.00 H new ATOM 997 N HIS A 842 10.355 0.755 4.895 1.00 0.00 N ATOM 998 CA HIS A 842 9.692 2.044 4.750 1.00 0.00 C ATOM 999 C HIS A 842 8.842 2.060 3.485 1.00 0.00 C ATOM 1000 O HIS A 842 7.723 2.577 3.480 1.00 0.00 O ATOM 1001 CB HIS A 842 10.724 3.171 4.709 1.00 0.00 C ATOM 1002 CG HIS A 842 10.260 4.440 5.355 1.00 0.00 C ATOM 1003 ND1 HIS A 842 10.634 4.817 6.625 1.00 0.00 N ATOM 1004 CD2 HIS A 842 9.445 5.421 4.901 1.00 0.00 C ATOM 1005 CE1 HIS A 842 10.078 5.975 6.921 1.00 0.00 C ATOM 1006 NE2 HIS A 842 9.348 6.364 5.893 1.00 0.00 N ATOM 0 H HIS A 842 11.370 0.795 4.801 1.00 0.00 H new ATOM 0 HA HIS A 842 9.041 2.200 5.611 1.00 0.00 H new ATOM 0 HB2 HIS A 842 11.635 2.835 5.204 1.00 0.00 H new ATOM 0 HB3 HIS A 842 10.982 3.377 3.670 1.00 0.00 H new ATOM 0 HD1 HIS A 842 11.246 4.283 7.242 1.00 0.00 H new ATOM 0 HD2 HIS A 842 8.961 5.455 3.936 1.00 0.00 H new ATOM 0 HE1 HIS A 842 10.200 6.514 7.849 1.00 0.00 H new ATOM 1015 N ARG A 843 9.378 1.488 2.413 1.00 0.00 N ATOM 1016 CA ARG A 843 8.629 1.345 1.171 1.00 0.00 C ATOM 1017 C ARG A 843 7.380 0.503 1.410 1.00 0.00 C ATOM 1018 O ARG A 843 6.281 0.879 1.007 1.00 0.00 O ATOM 1019 CB ARG A 843 9.502 0.697 0.085 1.00 0.00 C ATOM 1020 CG ARG A 843 8.711 0.058 -1.052 1.00 0.00 C ATOM 1021 CD ARG A 843 9.289 0.420 -2.412 1.00 0.00 C ATOM 1022 NE ARG A 843 8.846 1.740 -2.862 1.00 0.00 N ATOM 1023 CZ ARG A 843 8.110 1.954 -3.954 1.00 0.00 C ATOM 1024 NH1 ARG A 843 7.741 0.934 -4.722 1.00 0.00 N ATOM 1025 NH2 ARG A 843 7.752 3.191 -4.284 1.00 0.00 N ATOM 0 H ARG A 843 10.327 1.116 2.379 1.00 0.00 H new ATOM 0 HA ARG A 843 8.331 2.336 0.829 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.167 1.454 -0.330 1.00 0.00 H new ATOM 0 HB3 ARG A 843 10.132 -0.063 0.547 1.00 0.00 H new ATOM 0 HG2 ARG A 843 8.713 -1.025 -0.933 1.00 0.00 H new ATOM 0 HG3 ARG A 843 7.672 0.383 -1.000 1.00 0.00 H new ATOM 0 HD2 ARG A 843 10.378 0.401 -2.360 1.00 0.00 H new ATOM 0 HD3 ARG A 843 8.992 -0.331 -3.144 1.00 0.00 H new ATOM 0 HE ARG A 843 9.118 2.550 -2.304 1.00 0.00 H new ATOM 0 HH11 ARG A 843 8.020 -0.016 -4.477 1.00 0.00 H new ATOM 0 HH12 ARG A 843 7.178 1.101 -5.556 1.00 0.00 H new ATOM 0 HH21 ARG A 843 8.040 3.978 -3.702 1.00 0.00 H new ATOM 0 HH22 ARG A 843 7.189 3.353 -5.119 1.00 0.00 H new ATOM 1039 N LEU A 844 7.564 -0.625 2.090 1.00 0.00 N ATOM 1040 CA LEU A 844 6.472 -1.547 2.370 1.00 0.00 C ATOM 1041 C LEU A 844 5.392 -0.895 3.230 1.00 0.00 C ATOM 1042 O LEU A 844 4.212 -0.967 2.900 1.00 0.00 O ATOM 1043 CB LEU A 844 7.001 -2.807 3.059 1.00 0.00 C ATOM 1044 CG LEU A 844 7.500 -3.914 2.122 1.00 0.00 C ATOM 1045 CD1 LEU A 844 7.383 -5.273 2.794 1.00 0.00 C ATOM 1046 CD2 LEU A 844 6.731 -3.907 0.808 1.00 0.00 C ATOM 0 H LEU A 844 8.467 -0.923 2.459 1.00 0.00 H new ATOM 0 HA LEU A 844 6.021 -1.822 1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 844 7.818 -2.521 3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 844 6.209 -3.216 3.686 1.00 0.00 H new ATOM 0 HG LEU A 844 8.550 -3.720 1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 844 7.741 -6.047 2.115 1.00 0.00 H new ATOM 0 HD12 LEU A 844 7.983 -5.282 3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 844 6.340 -5.466 3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 844 7.106 -4.702 0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 844 5.671 -4.069 1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 844 6.865 -2.945 0.313 1.00 0.00 H new ATOM 1058 N LYS A 845 5.785 -0.250 4.321 1.00 0.00 N ATOM 1059 CA LYS A 845 4.811 0.400 5.191 1.00 0.00 C ATOM 1060 C LYS A 845 4.075 1.504 4.440 1.00 0.00 C ATOM 1061 O LYS A 845 2.904 1.770 4.708 1.00 0.00 O ATOM 1062 CB LYS A 845 5.480 0.950 6.458 1.00 0.00 C ATOM 1063 CG LYS A 845 6.332 2.182 6.232 1.00 0.00 C ATOM 1064 CD LYS A 845 7.431 2.291 7.273 1.00 0.00 C ATOM 1065 CE LYS A 845 6.871 2.679 8.630 1.00 0.00 C ATOM 1066 NZ LYS A 845 7.772 2.283 9.745 1.00 0.00 N ATOM 0 H LYS A 845 6.756 -0.163 4.622 1.00 0.00 H new ATOM 0 HA LYS A 845 4.081 -0.348 5.501 1.00 0.00 H new ATOM 0 HB2 LYS A 845 4.707 1.187 7.189 1.00 0.00 H new ATOM 0 HB3 LYS A 845 6.102 0.168 6.894 1.00 0.00 H new ATOM 0 HG2 LYS A 845 6.774 2.144 5.236 1.00 0.00 H new ATOM 0 HG3 LYS A 845 5.704 3.072 6.268 1.00 0.00 H new ATOM 0 HD2 LYS A 845 7.955 1.338 7.353 1.00 0.00 H new ATOM 0 HD3 LYS A 845 8.164 3.032 6.955 1.00 0.00 H new ATOM 0 HE2 LYS A 845 6.711 3.757 8.660 1.00 0.00 H new ATOM 0 HE3 LYS A 845 5.898 2.208 8.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 845 7.285 2.428 10.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 845 8.028 1.280 9.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 845 8.634 2.864 9.718 1.00 0.00 H new ATOM 1080 N GLY A 846 4.762 2.126 3.488 1.00 0.00 N ATOM 1081 CA GLY A 846 4.146 3.151 2.677 1.00 0.00 C ATOM 1082 C GLY A 846 3.131 2.585 1.702 1.00 0.00 C ATOM 1083 O GLY A 846 2.006 3.081 1.614 1.00 0.00 O ATOM 0 H GLY A 846 5.739 1.935 3.265 1.00 0.00 H new ATOM 0 HA2 GLY A 846 3.657 3.878 3.325 1.00 0.00 H new ATOM 0 HA3 GLY A 846 4.918 3.686 2.124 1.00 0.00 H new ATOM 1087 N VAL A 847 3.521 1.541 0.972 1.00 0.00 N ATOM 1088 CA VAL A 847 2.629 0.929 -0.007 1.00 0.00 C ATOM 1089 C VAL A 847 1.455 0.234 0.678 1.00 0.00 C ATOM 1090 O VAL A 847 0.322 0.343 0.221 1.00 0.00 O ATOM 1091 CB VAL A 847 3.357 -0.068 -0.946 1.00 0.00 C ATOM 1092 CG1 VAL A 847 4.263 0.674 -1.918 1.00 0.00 C ATOM 1093 CG2 VAL A 847 4.147 -1.105 -0.164 1.00 0.00 C ATOM 0 H VAL A 847 4.441 1.106 1.040 1.00 0.00 H new ATOM 0 HA VAL A 847 2.254 1.745 -0.625 1.00 0.00 H new ATOM 0 HB VAL A 847 2.593 -0.598 -1.515 1.00 0.00 H new ATOM 0 HG11 VAL A 847 4.764 -0.043 -2.568 1.00 0.00 H new ATOM 0 HG12 VAL A 847 3.666 1.356 -2.523 1.00 0.00 H new ATOM 0 HG13 VAL A 847 5.008 1.241 -1.360 1.00 0.00 H new ATOM 0 HG21 VAL A 847 4.642 -1.784 -0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 847 4.896 -0.605 0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 847 3.471 -1.670 0.477 1.00 0.00 H new ATOM 1103 N PHE A 848 1.717 -0.450 1.789 1.00 0.00 N ATOM 1104 CA PHE A 848 0.653 -1.101 2.548 1.00 0.00 C ATOM 1105 C PHE A 848 -0.356 -0.059 3.032 1.00 0.00 C ATOM 1106 O PHE A 848 -1.563 -0.228 2.862 1.00 0.00 O ATOM 1107 CB PHE A 848 1.237 -1.884 3.728 1.00 0.00 C ATOM 1108 CG PHE A 848 1.614 -3.302 3.380 1.00 0.00 C ATOM 1109 CD1 PHE A 848 0.643 -4.276 3.238 1.00 0.00 C ATOM 1110 CD2 PHE A 848 2.939 -3.655 3.192 1.00 0.00 C ATOM 1111 CE1 PHE A 848 0.984 -5.577 2.914 1.00 0.00 C ATOM 1112 CE2 PHE A 848 3.289 -4.954 2.869 1.00 0.00 C ATOM 1113 CZ PHE A 848 2.308 -5.916 2.729 1.00 0.00 C ATOM 0 H PHE A 848 2.651 -0.567 2.182 1.00 0.00 H new ATOM 0 HA PHE A 848 0.137 -1.807 1.898 1.00 0.00 H new ATOM 0 HB2 PHE A 848 2.119 -1.362 4.099 1.00 0.00 H new ATOM 0 HB3 PHE A 848 0.510 -1.898 4.540 1.00 0.00 H new ATOM 0 HD1 PHE A 848 -0.396 -4.018 3.382 1.00 0.00 H new ATOM 0 HD2 PHE A 848 3.710 -2.906 3.299 1.00 0.00 H new ATOM 0 HE1 PHE A 848 0.214 -6.327 2.806 1.00 0.00 H new ATOM 0 HE2 PHE A 848 4.327 -5.215 2.727 1.00 0.00 H new ATOM 0 HZ PHE A 848 2.577 -6.931 2.475 1.00 0.00 H new ATOM 1123 N ALA A 849 0.146 1.039 3.592 1.00 0.00 N ATOM 1124 CA ALA A 849 -0.713 2.133 4.037 1.00 0.00 C ATOM 1125 C ALA A 849 -1.484 2.735 2.860 1.00 0.00 C ATOM 1126 O ALA A 849 -2.634 3.154 3.003 1.00 0.00 O ATOM 1127 CB ALA A 849 0.117 3.207 4.725 1.00 0.00 C ATOM 0 H ALA A 849 1.142 1.195 3.748 1.00 0.00 H new ATOM 0 HA ALA A 849 -1.434 1.732 4.749 1.00 0.00 H new ATOM 0 HB1 ALA A 849 -0.535 4.017 5.052 1.00 0.00 H new ATOM 0 HB2 ALA A 849 0.623 2.777 5.589 1.00 0.00 H new ATOM 0 HB3 ALA A 849 0.858 3.597 4.027 1.00 0.00 H new ATOM 1133 N MET A 850 -0.843 2.766 1.695 1.00 0.00 N ATOM 1134 CA MET A 850 -1.458 3.283 0.477 1.00 0.00 C ATOM 1135 C MET A 850 -2.609 2.380 0.021 1.00 0.00 C ATOM 1136 O MET A 850 -3.678 2.865 -0.352 1.00 0.00 O ATOM 1137 CB MET A 850 -0.396 3.419 -0.628 1.00 0.00 C ATOM 1138 CG MET A 850 -0.877 3.035 -2.019 1.00 0.00 C ATOM 1139 SD MET A 850 0.479 2.610 -3.131 1.00 0.00 S ATOM 1140 CE MET A 850 -0.279 2.918 -4.726 1.00 0.00 C ATOM 0 H MET A 850 0.113 2.435 1.569 1.00 0.00 H new ATOM 0 HA MET A 850 -1.874 4.269 0.686 1.00 0.00 H new ATOM 0 HB2 MET A 850 -0.045 4.451 -0.651 1.00 0.00 H new ATOM 0 HB3 MET A 850 0.460 2.796 -0.369 1.00 0.00 H new ATOM 0 HG2 MET A 850 -1.558 2.187 -1.942 1.00 0.00 H new ATOM 0 HG3 MET A 850 -1.445 3.863 -2.444 1.00 0.00 H new ATOM 0 HE1 MET A 850 0.454 2.751 -5.515 1.00 0.00 H new ATOM 0 HE2 MET A 850 -1.122 2.241 -4.865 1.00 0.00 H new ATOM 0 HE3 MET A 850 -0.630 3.949 -4.769 1.00 0.00 H new ATOM 1150 N LEU A 851 -2.389 1.069 0.063 1.00 0.00 N ATOM 1151 CA LEU A 851 -3.415 0.106 -0.332 1.00 0.00 C ATOM 1152 C LEU A 851 -4.441 -0.076 0.783 1.00 0.00 C ATOM 1153 O LEU A 851 -5.461 -0.739 0.593 1.00 0.00 O ATOM 1154 CB LEU A 851 -2.786 -1.245 -0.697 1.00 0.00 C ATOM 1155 CG LEU A 851 -1.481 -1.168 -1.495 1.00 0.00 C ATOM 1156 CD1 LEU A 851 -0.773 -2.514 -1.491 1.00 0.00 C ATOM 1157 CD2 LEU A 851 -1.746 -0.713 -2.920 1.00 0.00 C ATOM 0 H LEU A 851 -1.511 0.648 0.366 1.00 0.00 H new ATOM 0 HA LEU A 851 -3.923 0.499 -1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 851 -2.598 -1.799 0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 851 -3.511 -1.820 -1.273 1.00 0.00 H new ATOM 0 HG LEU A 851 -0.833 -0.434 -1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 851 0.152 -2.440 -2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 851 -0.543 -2.801 -0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 851 -1.420 -3.267 -1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 851 -0.805 -0.666 -3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 851 -2.415 -1.420 -3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 851 -2.208 0.274 -2.907 1.00 0.00 H new ATOM 1169 N ASN A 852 -4.137 0.511 1.947 1.00 0.00 N ATOM 1170 CA ASN A 852 -5.032 0.515 3.112 1.00 0.00 C ATOM 1171 C ASN A 852 -4.961 -0.816 3.838 1.00 0.00 C ATOM 1172 O ASN A 852 -5.894 -1.227 4.528 1.00 0.00 O ATOM 1173 CB ASN A 852 -6.477 0.847 2.721 1.00 0.00 C ATOM 1174 CG ASN A 852 -6.938 2.166 3.304 1.00 0.00 C ATOM 1175 OD1 ASN A 852 -7.872 2.212 4.105 1.00 0.00 O ATOM 1176 ND2 ASN A 852 -6.291 3.251 2.904 1.00 0.00 N ATOM 0 H ASN A 852 -3.257 1.000 2.109 1.00 0.00 H new ATOM 0 HA ASN A 852 -4.693 1.301 3.787 1.00 0.00 H new ATOM 0 HB2 ASN A 852 -6.558 0.883 1.635 1.00 0.00 H new ATOM 0 HB3 ASN A 852 -7.137 0.050 3.064 1.00 0.00 H new ATOM 0 HD21 ASN A 852 -6.562 4.167 3.261 1.00 0.00 H new ATOM 0 HD22 ASN A 852 -5.522 3.170 2.239 1.00 0.00 H new ATOM 1183 N LEU A 853 -3.827 -1.468 3.682 1.00 0.00 N ATOM 1184 CA LEU A 853 -3.560 -2.734 4.333 1.00 0.00 C ATOM 1185 C LEU A 853 -2.940 -2.479 5.705 1.00 0.00 C ATOM 1186 O LEU A 853 -1.724 -2.586 5.884 1.00 0.00 O ATOM 1187 CB LEU A 853 -2.636 -3.572 3.448 1.00 0.00 C ATOM 1188 CG LEU A 853 -3.281 -4.082 2.156 1.00 0.00 C ATOM 1189 CD1 LEU A 853 -2.278 -4.864 1.325 1.00 0.00 C ATOM 1190 CD2 LEU A 853 -4.499 -4.938 2.469 1.00 0.00 C ATOM 0 H LEU A 853 -3.061 -1.133 3.097 1.00 0.00 H new ATOM 0 HA LEU A 853 -4.487 -3.288 4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 853 -1.761 -2.975 3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 853 -2.281 -4.427 4.023 1.00 0.00 H new ATOM 0 HG LEU A 853 -3.606 -3.220 1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 853 -2.758 -5.217 0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 853 -1.438 -4.219 1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 853 -1.918 -5.718 1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 853 -4.944 -5.291 1.539 1.00 0.00 H new ATOM 0 HD22 LEU A 853 -4.197 -5.793 3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 853 -5.230 -4.344 3.018 1.00 0.00 H new ATOM 1202 N VAL A 854 -3.800 -2.129 6.659 1.00 0.00 N ATOM 1203 CA VAL A 854 -3.380 -1.699 7.995 1.00 0.00 C ATOM 1204 C VAL A 854 -2.455 -2.706 8.691 1.00 0.00 C ATOM 1205 O VAL A 854 -1.345 -2.340 9.081 1.00 0.00 O ATOM 1206 CB VAL A 854 -4.591 -1.404 8.913 1.00 0.00 C ATOM 1207 CG1 VAL A 854 -4.280 -0.247 9.849 1.00 0.00 C ATOM 1208 CG2 VAL A 854 -5.841 -1.109 8.095 1.00 0.00 C ATOM 0 H VAL A 854 -4.812 -2.135 6.529 1.00 0.00 H new ATOM 0 HA VAL A 854 -2.816 -0.781 7.832 1.00 0.00 H new ATOM 0 HB VAL A 854 -4.784 -2.294 9.512 1.00 0.00 H new ATOM 0 HG11 VAL A 854 -5.142 -0.053 10.487 1.00 0.00 H new ATOM 0 HG12 VAL A 854 -3.420 -0.501 10.469 1.00 0.00 H new ATOM 0 HG13 VAL A 854 -4.055 0.644 9.263 1.00 0.00 H new ATOM 0 HG21 VAL A 854 -6.675 -0.906 8.766 1.00 0.00 H new ATOM 0 HG22 VAL A 854 -5.665 -0.240 7.462 1.00 0.00 H new ATOM 0 HG23 VAL A 854 -6.079 -1.970 7.471 1.00 0.00 H new ATOM 1218 N PRO A 855 -2.879 -3.982 8.862 1.00 0.00 N ATOM 1219 CA PRO A 855 -2.061 -4.990 9.552 1.00 0.00 C ATOM 1220 C PRO A 855 -0.686 -5.155 8.911 1.00 0.00 C ATOM 1221 O PRO A 855 0.324 -5.253 9.608 1.00 0.00 O ATOM 1222 CB PRO A 855 -2.881 -6.278 9.421 1.00 0.00 C ATOM 1223 CG PRO A 855 -4.279 -5.817 9.206 1.00 0.00 C ATOM 1224 CD PRO A 855 -4.167 -4.547 8.415 1.00 0.00 C ATOM 0 HA PRO A 855 -1.859 -4.711 10.586 1.00 0.00 H new ATOM 0 HB2 PRO A 855 -2.532 -6.886 8.586 1.00 0.00 H new ATOM 0 HB3 PRO A 855 -2.800 -6.892 10.318 1.00 0.00 H new ATOM 0 HG2 PRO A 855 -4.860 -6.565 8.667 1.00 0.00 H new ATOM 0 HG3 PRO A 855 -4.785 -5.644 10.156 1.00 0.00 H new ATOM 0 HD2 PRO A 855 -4.171 -4.739 7.342 1.00 0.00 H new ATOM 0 HD3 PRO A 855 -4.996 -3.870 8.621 1.00 0.00 H new ATOM 1232 N GLY A 856 -0.652 -5.165 7.584 1.00 0.00 N ATOM 1233 CA GLY A 856 0.610 -5.277 6.876 1.00 0.00 C ATOM 1234 C GLY A 856 1.518 -4.092 7.144 1.00 0.00 C ATOM 1235 O GLY A 856 2.710 -4.255 7.416 1.00 0.00 O ATOM 0 H GLY A 856 -1.475 -5.098 6.985 1.00 0.00 H new ATOM 0 HA2 GLY A 856 1.114 -6.195 7.176 1.00 0.00 H new ATOM 0 HA3 GLY A 856 0.420 -5.353 5.805 1.00 0.00 H new ATOM 1239 N LYS A 857 0.947 -2.895 7.081 1.00 0.00 N ATOM 1240 CA LYS A 857 1.689 -1.669 7.344 1.00 0.00 C ATOM 1241 C LYS A 857 2.188 -1.647 8.788 1.00 0.00 C ATOM 1242 O LYS A 857 3.310 -1.217 9.060 1.00 0.00 O ATOM 1243 CB LYS A 857 0.805 -0.449 7.052 1.00 0.00 C ATOM 1244 CG LYS A 857 1.224 0.820 7.779 1.00 0.00 C ATOM 1245 CD LYS A 857 0.067 1.405 8.569 1.00 0.00 C ATOM 1246 CE LYS A 857 0.398 2.785 9.107 1.00 0.00 C ATOM 1247 NZ LYS A 857 -0.794 3.450 9.697 1.00 0.00 N ATOM 0 H LYS A 857 -0.035 -2.748 6.848 1.00 0.00 H new ATOM 0 HA LYS A 857 2.558 -1.632 6.687 1.00 0.00 H new ATOM 0 HB2 LYS A 857 0.814 -0.258 5.979 1.00 0.00 H new ATOM 0 HB3 LYS A 857 -0.223 -0.687 7.325 1.00 0.00 H new ATOM 0 HG2 LYS A 857 2.053 0.601 8.451 1.00 0.00 H new ATOM 0 HG3 LYS A 857 1.584 1.554 7.058 1.00 0.00 H new ATOM 0 HD2 LYS A 857 -0.816 1.464 7.932 1.00 0.00 H new ATOM 0 HD3 LYS A 857 -0.181 0.741 9.397 1.00 0.00 H new ATOM 0 HE2 LYS A 857 1.179 2.702 9.863 1.00 0.00 H new ATOM 0 HE3 LYS A 857 0.797 3.402 8.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 857 -0.527 4.390 10.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 857 -1.530 3.552 8.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 857 -1.160 2.874 10.482 1.00 0.00 H new ATOM 1261 N GLN A 858 1.350 -2.122 9.703 1.00 0.00 N ATOM 1262 CA GLN A 858 1.708 -2.199 11.115 1.00 0.00 C ATOM 1263 C GLN A 858 2.933 -3.095 11.307 1.00 0.00 C ATOM 1264 O GLN A 858 3.863 -2.748 12.042 1.00 0.00 O ATOM 1265 CB GLN A 858 0.506 -2.708 11.927 1.00 0.00 C ATOM 1266 CG GLN A 858 0.858 -3.672 13.050 1.00 0.00 C ATOM 1267 CD GLN A 858 0.693 -3.056 14.423 1.00 0.00 C ATOM 1268 OE1 GLN A 858 1.413 -2.128 14.793 1.00 0.00 O ATOM 1269 NE2 GLN A 858 -0.252 -3.572 15.191 1.00 0.00 N ATOM 0 H GLN A 858 0.412 -2.462 9.490 1.00 0.00 H new ATOM 0 HA GLN A 858 1.969 -1.204 11.477 1.00 0.00 H new ATOM 0 HB2 GLN A 858 -0.016 -1.851 12.353 1.00 0.00 H new ATOM 0 HB3 GLN A 858 -0.190 -3.201 11.249 1.00 0.00 H new ATOM 0 HG2 GLN A 858 0.226 -4.557 12.975 1.00 0.00 H new ATOM 0 HG3 GLN A 858 1.889 -4.005 12.927 1.00 0.00 H new ATOM 0 HE21 GLN A 858 -0.827 -4.341 14.846 1.00 0.00 H new ATOM 0 HE22 GLN A 858 -0.406 -3.201 16.129 1.00 0.00 H new ATOM 1278 N LEU A 859 2.942 -4.233 10.618 1.00 0.00 N ATOM 1279 CA LEU A 859 4.075 -5.151 10.664 1.00 0.00 C ATOM 1280 C LEU A 859 5.340 -4.458 10.163 1.00 0.00 C ATOM 1281 O LEU A 859 6.415 -4.606 10.744 1.00 0.00 O ATOM 1282 CB LEU A 859 3.794 -6.395 9.817 1.00 0.00 C ATOM 1283 CG LEU A 859 2.609 -7.251 10.274 1.00 0.00 C ATOM 1284 CD1 LEU A 859 2.150 -8.163 9.148 1.00 0.00 C ATOM 1285 CD2 LEU A 859 2.977 -8.068 11.504 1.00 0.00 C ATOM 0 H LEU A 859 2.175 -4.541 10.020 1.00 0.00 H new ATOM 0 HA LEU A 859 4.224 -5.458 11.699 1.00 0.00 H new ATOM 0 HB2 LEU A 859 3.617 -6.080 8.789 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.688 -7.018 9.810 1.00 0.00 H new ATOM 0 HG LEU A 859 1.788 -6.586 10.540 1.00 0.00 H new ATOM 0 HD11 LEU A 859 1.307 -8.765 9.488 1.00 0.00 H new ATOM 0 HD12 LEU A 859 1.844 -7.560 8.293 1.00 0.00 H new ATOM 0 HD13 LEU A 859 2.969 -8.819 8.854 1.00 0.00 H new ATOM 0 HD21 LEU A 859 2.121 -8.668 11.811 1.00 0.00 H new ATOM 0 HD22 LEU A 859 3.814 -8.724 11.268 1.00 0.00 H new ATOM 0 HD23 LEU A 859 3.260 -7.397 12.315 1.00 0.00 H new ATOM 1297 N CYS A 860 5.199 -3.684 9.094 1.00 0.00 N ATOM 1298 CA CYS A 860 6.328 -2.963 8.517 1.00 0.00 C ATOM 1299 C CYS A 860 6.806 -1.845 9.444 1.00 0.00 C ATOM 1300 O CYS A 860 7.969 -1.439 9.395 1.00 0.00 O ATOM 1301 CB CYS A 860 5.955 -2.395 7.150 1.00 0.00 C ATOM 1302 SG CYS A 860 5.240 -3.609 6.019 1.00 0.00 S ATOM 0 H CYS A 860 4.314 -3.539 8.608 1.00 0.00 H new ATOM 0 HA CYS A 860 7.148 -3.670 8.393 1.00 0.00 H new ATOM 0 HB2 CYS A 860 5.244 -1.580 7.288 1.00 0.00 H new ATOM 0 HB3 CYS A 860 6.846 -1.967 6.691 1.00 0.00 H new ATOM 0 HG CYS A 860 4.139 -4.078 6.526 1.00 0.00 H new ATOM 1308 N GLU A 861 5.910 -1.343 10.286 1.00 0.00 N ATOM 1309 CA GLU A 861 6.277 -0.349 11.286 1.00 0.00 C ATOM 1310 C GLU A 861 7.232 -0.970 12.300 1.00 0.00 C ATOM 1311 O GLU A 861 8.334 -0.456 12.544 1.00 0.00 O ATOM 1312 CB GLU A 861 5.031 0.183 12.001 1.00 0.00 C ATOM 1313 CG GLU A 861 4.369 1.354 11.295 1.00 0.00 C ATOM 1314 CD GLU A 861 5.102 2.662 11.520 1.00 0.00 C ATOM 1315 OE1 GLU A 861 6.273 2.629 11.956 1.00 0.00 O ATOM 1316 OE2 GLU A 861 4.521 3.729 11.243 1.00 0.00 O ATOM 0 H GLU A 861 4.925 -1.608 10.296 1.00 0.00 H new ATOM 0 HA GLU A 861 6.770 0.485 10.786 1.00 0.00 H new ATOM 0 HB2 GLU A 861 4.307 -0.626 12.099 1.00 0.00 H new ATOM 0 HB3 GLU A 861 5.306 0.488 13.011 1.00 0.00 H new ATOM 0 HG2 GLU A 861 4.321 1.148 10.226 1.00 0.00 H new ATOM 0 HG3 GLU A 861 3.342 1.452 11.647 1.00 0.00 H new ATOM 1323 N THR A 862 6.810 -2.090 12.870 1.00 0.00 N ATOM 1324 CA THR A 862 7.637 -2.830 13.808 1.00 0.00 C ATOM 1325 C THR A 862 8.909 -3.332 13.131 1.00 0.00 C ATOM 1326 O THR A 862 9.977 -3.341 13.738 1.00 0.00 O ATOM 1327 CB THR A 862 6.864 -4.021 14.391 1.00 0.00 C ATOM 1328 OG1 THR A 862 5.460 -3.820 14.191 1.00 0.00 O ATOM 1329 CG2 THR A 862 7.153 -4.191 15.874 1.00 0.00 C ATOM 0 H THR A 862 5.895 -2.506 12.697 1.00 0.00 H new ATOM 0 HA THR A 862 7.909 -2.151 14.616 1.00 0.00 H new ATOM 0 HB THR A 862 7.187 -4.927 13.878 1.00 0.00 H new ATOM 0 HG1 THR A 862 4.965 -4.580 14.561 1.00 0.00 H new ATOM 0 HG21 THR A 862 6.591 -5.042 16.259 1.00 0.00 H new ATOM 0 HG22 THR A 862 8.219 -4.364 16.019 1.00 0.00 H new ATOM 0 HG23 THR A 862 6.856 -3.289 16.408 1.00 0.00 H new ATOM 1337 N LEU A 863 8.783 -3.741 11.870 1.00 0.00 N ATOM 1338 CA LEU A 863 9.929 -4.174 11.078 1.00 0.00 C ATOM 1339 C LEU A 863 11.012 -3.103 11.070 1.00 0.00 C ATOM 1340 O LEU A 863 12.161 -3.376 11.407 1.00 0.00 O ATOM 1341 CB LEU A 863 9.498 -4.487 9.643 1.00 0.00 C ATOM 1342 CG LEU A 863 9.952 -5.843 9.093 1.00 0.00 C ATOM 1343 CD1 LEU A 863 10.132 -5.768 7.586 1.00 0.00 C ATOM 1344 CD2 LEU A 863 11.244 -6.301 9.757 1.00 0.00 C ATOM 0 H LEU A 863 7.893 -3.781 11.374 1.00 0.00 H new ATOM 0 HA LEU A 863 10.334 -5.078 11.532 1.00 0.00 H new ATOM 0 HB2 LEU A 863 8.410 -4.441 9.592 1.00 0.00 H new ATOM 0 HB3 LEU A 863 9.881 -3.704 8.989 1.00 0.00 H new ATOM 0 HG LEU A 863 9.177 -6.575 9.320 1.00 0.00 H new ATOM 0 HD11 LEU A 863 10.455 -6.739 7.209 1.00 0.00 H new ATOM 0 HD12 LEU A 863 9.186 -5.494 7.120 1.00 0.00 H new ATOM 0 HD13 LEU A 863 10.885 -5.017 7.346 1.00 0.00 H new ATOM 0 HD21 LEU A 863 11.542 -7.266 9.347 1.00 0.00 H new ATOM 0 HD22 LEU A 863 12.029 -5.569 9.569 1.00 0.00 H new ATOM 0 HD23 LEU A 863 11.087 -6.396 10.831 1.00 0.00 H new ATOM 1356 N GLU A 864 10.635 -1.881 10.705 1.00 0.00 N ATOM 1357 CA GLU A 864 11.579 -0.768 10.679 1.00 0.00 C ATOM 1358 C GLU A 864 12.233 -0.588 12.045 1.00 0.00 C ATOM 1359 O GLU A 864 13.446 -0.393 12.142 1.00 0.00 O ATOM 1360 CB GLU A 864 10.880 0.523 10.248 1.00 0.00 C ATOM 1361 CG GLU A 864 11.324 1.019 8.881 1.00 0.00 C ATOM 1362 CD GLU A 864 11.172 2.518 8.720 1.00 0.00 C ATOM 1363 OE1 GLU A 864 10.175 3.078 9.221 1.00 0.00 O ATOM 1364 OE2 GLU A 864 12.037 3.143 8.078 1.00 0.00 O ATOM 0 H GLU A 864 9.685 -1.637 10.424 1.00 0.00 H new ATOM 0 HA GLU A 864 12.357 -0.998 9.951 1.00 0.00 H new ATOM 0 HB2 GLU A 864 9.803 0.358 10.235 1.00 0.00 H new ATOM 0 HB3 GLU A 864 11.074 1.298 10.989 1.00 0.00 H new ATOM 0 HG2 GLU A 864 12.367 0.745 8.722 1.00 0.00 H new ATOM 0 HG3 GLU A 864 10.741 0.515 8.110 1.00 0.00 H new ATOM 1371 N HIS A 865 11.426 -0.681 13.099 1.00 0.00 N ATOM 1372 CA HIS A 865 11.938 -0.602 14.467 1.00 0.00 C ATOM 1373 C HIS A 865 12.965 -1.712 14.726 1.00 0.00 C ATOM 1374 O HIS A 865 14.026 -1.468 15.293 1.00 0.00 O ATOM 1375 CB HIS A 865 10.769 -0.686 15.470 1.00 0.00 C ATOM 1376 CG HIS A 865 11.139 -1.206 16.836 1.00 0.00 C ATOM 1377 ND1 HIS A 865 11.558 -0.396 17.866 1.00 0.00 N ATOM 1378 CD2 HIS A 865 11.168 -2.472 17.325 1.00 0.00 C ATOM 1379 CE1 HIS A 865 11.827 -1.137 18.925 1.00 0.00 C ATOM 1380 NE2 HIS A 865 11.600 -2.403 18.624 1.00 0.00 N ATOM 0 H HIS A 865 10.416 -0.811 13.034 1.00 0.00 H new ATOM 0 HA HIS A 865 12.442 0.355 14.601 1.00 0.00 H new ATOM 0 HB2 HIS A 865 10.333 0.307 15.581 1.00 0.00 H new ATOM 0 HB3 HIS A 865 9.995 -1.329 15.050 1.00 0.00 H new ATOM 0 HD2 HIS A 865 10.900 -3.370 16.788 1.00 0.00 H new ATOM 0 HE1 HIS A 865 12.175 -0.769 19.879 1.00 0.00 H new ATOM 0 HE2 HIS A 865 11.725 -3.196 19.253 1.00 0.00 H new ATOM 1389 N LEU A 866 12.644 -2.924 14.292 1.00 0.00 N ATOM 1390 CA LEU A 866 13.503 -4.082 14.529 1.00 0.00 C ATOM 1391 C LEU A 866 14.818 -3.958 13.771 1.00 0.00 C ATOM 1392 O LEU A 866 15.860 -4.417 14.237 1.00 0.00 O ATOM 1393 CB LEU A 866 12.783 -5.364 14.112 1.00 0.00 C ATOM 1394 CG LEU A 866 11.667 -5.819 15.053 1.00 0.00 C ATOM 1395 CD1 LEU A 866 10.633 -6.635 14.295 1.00 0.00 C ATOM 1396 CD2 LEU A 866 12.241 -6.624 16.206 1.00 0.00 C ATOM 0 H LEU A 866 11.792 -3.133 13.772 1.00 0.00 H new ATOM 0 HA LEU A 866 13.726 -4.122 15.595 1.00 0.00 H new ATOM 0 HB2 LEU A 866 12.361 -5.218 13.118 1.00 0.00 H new ATOM 0 HB3 LEU A 866 13.518 -6.165 14.032 1.00 0.00 H new ATOM 0 HG LEU A 866 11.176 -4.935 15.461 1.00 0.00 H new ATOM 0 HD11 LEU A 866 9.846 -6.951 14.980 1.00 0.00 H new ATOM 0 HD12 LEU A 866 10.201 -6.027 13.501 1.00 0.00 H new ATOM 0 HD13 LEU A 866 11.110 -7.513 13.860 1.00 0.00 H new ATOM 0 HD21 LEU A 866 11.434 -6.940 16.866 1.00 0.00 H new ATOM 0 HD22 LEU A 866 12.756 -7.502 15.816 1.00 0.00 H new ATOM 0 HD23 LEU A 866 12.946 -6.008 16.764 1.00 0.00 H new ATOM 1408 N ILE A 867 14.769 -3.322 12.612 1.00 0.00 N ATOM 1409 CA ILE A 867 15.954 -3.168 11.783 1.00 0.00 C ATOM 1410 C ILE A 867 16.829 -2.072 12.360 1.00 0.00 C ATOM 1411 O ILE A 867 18.058 -2.159 12.356 1.00 0.00 O ATOM 1412 CB ILE A 867 15.595 -2.829 10.317 1.00 0.00 C ATOM 1413 CG1 ILE A 867 14.713 -3.928 9.713 1.00 0.00 C ATOM 1414 CG2 ILE A 867 16.855 -2.647 9.485 1.00 0.00 C ATOM 1415 CD1 ILE A 867 13.854 -3.451 8.561 1.00 0.00 C ATOM 0 H ILE A 867 13.923 -2.905 12.224 1.00 0.00 H new ATOM 0 HA ILE A 867 16.488 -4.118 11.780 1.00 0.00 H new ATOM 0 HB ILE A 867 15.038 -1.892 10.309 1.00 0.00 H new ATOM 0 HG12 ILE A 867 15.348 -4.744 9.368 1.00 0.00 H new ATOM 0 HG13 ILE A 867 14.068 -4.334 10.492 1.00 0.00 H new ATOM 0 HG21 ILE A 867 16.581 -2.409 8.457 1.00 0.00 H new ATOM 0 HG22 ILE A 867 17.450 -1.833 9.899 1.00 0.00 H new ATOM 0 HG23 ILE A 867 17.438 -3.568 9.501 1.00 0.00 H new ATOM 0 HD11 ILE A 867 13.257 -4.282 8.184 1.00 0.00 H new ATOM 0 HD12 ILE A 867 13.193 -2.656 8.905 1.00 0.00 H new ATOM 0 HD13 ILE A 867 14.493 -3.072 7.763 1.00 0.00 H new ATOM 1427 N ARG A 868 16.168 -1.051 12.878 1.00 0.00 N ATOM 1428 CA ARG A 868 16.836 0.066 13.510 1.00 0.00 C ATOM 1429 C ARG A 868 17.588 -0.391 14.761 1.00 0.00 C ATOM 1430 O ARG A 868 18.676 0.103 15.055 1.00 0.00 O ATOM 1431 CB ARG A 868 15.795 1.146 13.840 1.00 0.00 C ATOM 1432 CG ARG A 868 15.604 1.417 15.318 1.00 0.00 C ATOM 1433 CD ARG A 868 16.506 2.549 15.773 1.00 0.00 C ATOM 1434 NE ARG A 868 15.871 3.439 16.744 1.00 0.00 N ATOM 1435 CZ ARG A 868 15.849 4.769 16.628 1.00 0.00 C ATOM 1436 NH1 ARG A 868 16.332 5.351 15.535 1.00 0.00 N ATOM 1437 NH2 ARG A 868 15.323 5.511 17.594 1.00 0.00 N ATOM 0 H ARG A 868 15.151 -0.976 12.870 1.00 0.00 H new ATOM 0 HA ARG A 868 17.576 0.486 12.829 1.00 0.00 H new ATOM 0 HB2 ARG A 868 16.088 2.074 13.350 1.00 0.00 H new ATOM 0 HB3 ARG A 868 14.837 0.849 13.413 1.00 0.00 H new ATOM 0 HG2 ARG A 868 14.563 1.672 15.515 1.00 0.00 H new ATOM 0 HG3 ARG A 868 15.825 0.516 15.890 1.00 0.00 H new ATOM 0 HD2 ARG A 868 17.411 2.129 16.213 1.00 0.00 H new ATOM 0 HD3 ARG A 868 16.814 3.131 14.904 1.00 0.00 H new ATOM 0 HE ARG A 868 15.419 3.020 17.557 1.00 0.00 H new ATOM 0 HH11 ARG A 868 16.720 4.781 14.783 1.00 0.00 H new ATOM 0 HH12 ARG A 868 16.314 6.367 15.448 1.00 0.00 H new ATOM 0 HH21 ARG A 868 14.935 5.065 18.426 1.00 0.00 H new ATOM 0 HH22 ARG A 868 15.306 6.527 17.505 1.00 0.00 H new ATOM 1451 N GLU A 869 17.007 -1.338 15.489 1.00 0.00 N ATOM 1452 CA GLU A 869 17.632 -1.860 16.699 1.00 0.00 C ATOM 1453 C GLU A 869 18.520 -3.058 16.372 1.00 0.00 C ATOM 1454 O GLU A 869 19.175 -3.622 17.250 1.00 0.00 O ATOM 1455 CB GLU A 869 16.568 -2.238 17.734 1.00 0.00 C ATOM 1456 CG GLU A 869 15.872 -3.561 17.460 1.00 0.00 C ATOM 1457 CD GLU A 869 14.772 -3.855 18.463 1.00 0.00 C ATOM 1458 OE1 GLU A 869 14.334 -2.922 19.164 1.00 0.00 O ATOM 1459 OE2 GLU A 869 14.337 -5.019 18.555 1.00 0.00 O ATOM 0 H GLU A 869 16.106 -1.759 15.263 1.00 0.00 H new ATOM 0 HA GLU A 869 18.260 -1.078 17.126 1.00 0.00 H new ATOM 0 HB2 GLU A 869 17.035 -2.283 18.718 1.00 0.00 H new ATOM 0 HB3 GLU A 869 15.818 -1.448 17.773 1.00 0.00 H new ATOM 0 HG2 GLU A 869 15.449 -3.545 16.456 1.00 0.00 H new ATOM 0 HG3 GLU A 869 16.606 -4.366 17.484 1.00 0.00 H new ATOM 1466 N LYS A 870 18.532 -3.425 15.091 1.00 0.00 N ATOM 1467 CA LYS A 870 19.383 -4.496 14.574 1.00 0.00 C ATOM 1468 C LYS A 870 19.081 -5.838 15.242 1.00 0.00 C ATOM 1469 O LYS A 870 19.996 -6.578 15.611 1.00 0.00 O ATOM 1470 CB LYS A 870 20.868 -4.143 14.739 1.00 0.00 C ATOM 1471 CG LYS A 870 21.202 -2.704 14.377 1.00 0.00 C ATOM 1472 CD LYS A 870 21.705 -2.580 12.949 1.00 0.00 C ATOM 1473 CE LYS A 870 23.179 -2.938 12.849 1.00 0.00 C ATOM 1474 NZ LYS A 870 24.026 -1.758 12.532 1.00 0.00 N ATOM 0 H LYS A 870 17.949 -2.985 14.379 1.00 0.00 H new ATOM 0 HA LYS A 870 19.161 -4.596 13.512 1.00 0.00 H new ATOM 0 HB2 LYS A 870 21.162 -4.325 15.773 1.00 0.00 H new ATOM 0 HB3 LYS A 870 21.462 -4.812 14.116 1.00 0.00 H new ATOM 0 HG2 LYS A 870 20.316 -2.083 14.505 1.00 0.00 H new ATOM 0 HG3 LYS A 870 21.959 -2.324 15.063 1.00 0.00 H new ATOM 0 HD2 LYS A 870 21.125 -3.235 12.299 1.00 0.00 H new ATOM 0 HD3 LYS A 870 21.551 -1.561 12.594 1.00 0.00 H new ATOM 0 HE2 LYS A 870 23.509 -3.377 13.791 1.00 0.00 H new ATOM 0 HE3 LYS A 870 23.315 -3.697 12.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 25.022 -2.051 12.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 23.731 -1.353 11.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 23.919 -1.043 13.279 1.00 0.00 H new ATOM 1488 N ASP A 871 17.799 -6.142 15.404 1.00 0.00 N ATOM 1489 CA ASP A 871 17.385 -7.442 15.925 1.00 0.00 C ATOM 1490 C ASP A 871 17.096 -8.392 14.775 1.00 0.00 C ATOM 1491 O ASP A 871 15.978 -8.439 14.261 1.00 0.00 O ATOM 1492 CB ASP A 871 16.149 -7.313 16.814 1.00 0.00 C ATOM 1493 CG ASP A 871 15.879 -8.578 17.604 1.00 0.00 C ATOM 1494 OD1 ASP A 871 15.241 -9.504 17.062 1.00 0.00 O ATOM 1495 OD2 ASP A 871 16.304 -8.653 18.777 1.00 0.00 O ATOM 0 H ASP A 871 17.030 -5.510 15.184 1.00 0.00 H new ATOM 0 HA ASP A 871 18.200 -7.840 16.530 1.00 0.00 H new ATOM 0 HB2 ASP A 871 16.284 -6.478 17.502 1.00 0.00 H new ATOM 0 HB3 ASP A 871 15.282 -7.080 16.196 1.00 0.00 H new ATOM 1500 N VAL A 872 18.112 -9.150 14.383 1.00 0.00 N ATOM 1501 CA VAL A 872 18.026 -10.025 13.217 1.00 0.00 C ATOM 1502 C VAL A 872 16.848 -11.006 13.305 1.00 0.00 C ATOM 1503 O VAL A 872 16.024 -11.044 12.391 1.00 0.00 O ATOM 1504 CB VAL A 872 19.338 -10.812 12.995 1.00 0.00 C ATOM 1505 CG1 VAL A 872 19.313 -11.533 11.655 1.00 0.00 C ATOM 1506 CG2 VAL A 872 20.543 -9.888 13.080 1.00 0.00 C ATOM 0 H VAL A 872 19.014 -9.177 14.859 1.00 0.00 H new ATOM 0 HA VAL A 872 17.858 -9.368 12.364 1.00 0.00 H new ATOM 0 HB VAL A 872 19.422 -11.558 13.785 1.00 0.00 H new ATOM 0 HG11 VAL A 872 20.246 -12.080 11.519 1.00 0.00 H new ATOM 0 HG12 VAL A 872 18.476 -12.231 11.633 1.00 0.00 H new ATOM 0 HG13 VAL A 872 19.199 -10.805 10.852 1.00 0.00 H new ATOM 0 HG21 VAL A 872 21.455 -10.464 12.921 1.00 0.00 H new ATOM 0 HG22 VAL A 872 20.464 -9.115 12.315 1.00 0.00 H new ATOM 0 HG23 VAL A 872 20.575 -9.422 14.065 1.00 0.00 H new ATOM 1516 N PRO A 873 16.736 -11.809 14.393 1.00 0.00 N ATOM 1517 CA PRO A 873 15.650 -12.791 14.541 1.00 0.00 C ATOM 1518 C PRO A 873 14.267 -12.172 14.356 1.00 0.00 C ATOM 1519 O PRO A 873 13.416 -12.730 13.652 1.00 0.00 O ATOM 1520 CB PRO A 873 15.820 -13.304 15.974 1.00 0.00 C ATOM 1521 CG PRO A 873 17.258 -13.092 16.280 1.00 0.00 C ATOM 1522 CD PRO A 873 17.653 -11.839 15.554 1.00 0.00 C ATOM 0 HA PRO A 873 15.710 -13.573 13.784 1.00 0.00 H new ATOM 0 HB2 PRO A 873 15.182 -12.758 16.669 1.00 0.00 H new ATOM 0 HB3 PRO A 873 15.549 -14.357 16.053 1.00 0.00 H new ATOM 0 HG2 PRO A 873 17.418 -12.988 17.353 1.00 0.00 H new ATOM 0 HG3 PRO A 873 17.857 -13.940 15.949 1.00 0.00 H new ATOM 0 HD2 PRO A 873 17.534 -10.956 16.182 1.00 0.00 H new ATOM 0 HD3 PRO A 873 18.697 -11.869 15.241 1.00 0.00 H new ATOM 1530 N GLY A 874 14.050 -11.018 14.978 1.00 0.00 N ATOM 1531 CA GLY A 874 12.780 -10.332 14.857 1.00 0.00 C ATOM 1532 C GLY A 874 12.535 -9.829 13.450 1.00 0.00 C ATOM 1533 O GLY A 874 11.408 -9.884 12.951 1.00 0.00 O ATOM 0 H GLY A 874 14.736 -10.545 15.566 1.00 0.00 H new ATOM 0 HA2 GLY A 874 11.975 -11.008 15.145 1.00 0.00 H new ATOM 0 HA3 GLY A 874 12.755 -9.492 15.551 1.00 0.00 H new ATOM 1537 N ILE A 875 13.598 -9.348 12.809 1.00 0.00 N ATOM 1538 CA ILE A 875 13.515 -8.844 11.444 1.00 0.00 C ATOM 1539 C ILE A 875 12.978 -9.918 10.503 1.00 0.00 C ATOM 1540 O ILE A 875 11.939 -9.731 9.868 1.00 0.00 O ATOM 1541 CB ILE A 875 14.888 -8.344 10.930 1.00 0.00 C ATOM 1542 CG1 ILE A 875 15.285 -7.047 11.637 1.00 0.00 C ATOM 1543 CG2 ILE A 875 14.855 -8.128 9.425 1.00 0.00 C ATOM 1544 CD1 ILE A 875 16.756 -6.710 11.506 1.00 0.00 C ATOM 0 H ILE A 875 14.531 -9.298 13.218 1.00 0.00 H new ATOM 0 HA ILE A 875 12.827 -7.998 11.458 1.00 0.00 H new ATOM 0 HB ILE A 875 15.632 -9.109 11.154 1.00 0.00 H new ATOM 0 HG12 ILE A 875 14.695 -6.226 11.230 1.00 0.00 H new ATOM 0 HG13 ILE A 875 15.032 -7.127 12.694 1.00 0.00 H new ATOM 0 HG21 ILE A 875 15.830 -7.777 9.086 1.00 0.00 H new ATOM 0 HG22 ILE A 875 14.615 -9.068 8.928 1.00 0.00 H new ATOM 0 HG23 ILE A 875 14.097 -7.384 9.181 1.00 0.00 H new ATOM 0 HD11 ILE A 875 16.964 -5.778 12.032 1.00 0.00 H new ATOM 0 HD12 ILE A 875 17.353 -7.512 11.940 1.00 0.00 H new ATOM 0 HD13 ILE A 875 17.011 -6.597 10.452 1.00 0.00 H new ATOM 1556 N GLU A 876 13.669 -11.055 10.439 1.00 0.00 N ATOM 1557 CA GLU A 876 13.277 -12.125 9.526 1.00 0.00 C ATOM 1558 C GLU A 876 11.912 -12.687 9.903 1.00 0.00 C ATOM 1559 O GLU A 876 11.131 -13.055 9.030 1.00 0.00 O ATOM 1560 CB GLU A 876 14.320 -13.245 9.495 1.00 0.00 C ATOM 1561 CG GLU A 876 15.105 -13.400 10.782 1.00 0.00 C ATOM 1562 CD GLU A 876 15.712 -14.777 10.927 1.00 0.00 C ATOM 1563 OE1 GLU A 876 15.028 -15.682 11.447 1.00 0.00 O ATOM 1564 OE2 GLU A 876 16.880 -14.964 10.523 1.00 0.00 O ATOM 0 H GLU A 876 14.495 -11.257 11.003 1.00 0.00 H new ATOM 0 HA GLU A 876 13.214 -11.694 8.527 1.00 0.00 H new ATOM 0 HB2 GLU A 876 13.818 -14.187 9.273 1.00 0.00 H new ATOM 0 HB3 GLU A 876 15.017 -13.055 8.679 1.00 0.00 H new ATOM 0 HG2 GLU A 876 15.897 -12.652 10.813 1.00 0.00 H new ATOM 0 HG3 GLU A 876 14.449 -13.205 11.630 1.00 0.00 H new ATOM 1571 N LYS A 877 11.627 -12.736 11.202 1.00 0.00 N ATOM 1572 CA LYS A 877 10.333 -13.207 11.687 1.00 0.00 C ATOM 1573 C LYS A 877 9.203 -12.354 11.120 1.00 0.00 C ATOM 1574 O LYS A 877 8.207 -12.876 10.609 1.00 0.00 O ATOM 1575 CB LYS A 877 10.291 -13.185 13.218 1.00 0.00 C ATOM 1576 CG LYS A 877 8.920 -13.488 13.801 1.00 0.00 C ATOM 1577 CD LYS A 877 8.645 -14.980 13.854 1.00 0.00 C ATOM 1578 CE LYS A 877 7.587 -15.388 12.840 1.00 0.00 C ATOM 1579 NZ LYS A 877 6.211 -15.052 13.298 1.00 0.00 N ATOM 0 H LYS A 877 12.275 -12.455 11.938 1.00 0.00 H new ATOM 0 HA LYS A 877 10.198 -14.234 11.348 1.00 0.00 H new ATOM 0 HB2 LYS A 877 11.007 -13.912 13.602 1.00 0.00 H new ATOM 0 HB3 LYS A 877 10.615 -12.204 13.567 1.00 0.00 H new ATOM 0 HG2 LYS A 877 8.852 -13.070 14.806 1.00 0.00 H new ATOM 0 HG3 LYS A 877 8.154 -12.999 13.200 1.00 0.00 H new ATOM 0 HD2 LYS A 877 9.567 -15.528 13.660 1.00 0.00 H new ATOM 0 HD3 LYS A 877 8.315 -15.255 14.856 1.00 0.00 H new ATOM 0 HE2 LYS A 877 7.784 -14.889 11.891 1.00 0.00 H new ATOM 0 HE3 LYS A 877 7.656 -16.460 12.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 877 5.573 -15.008 12.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 877 5.877 -15.783 13.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 877 6.221 -14.130 13.779 1.00 0.00 H new ATOM 1593 N TYR A 878 9.368 -11.044 11.201 1.00 0.00 N ATOM 1594 CA TYR A 878 8.358 -10.123 10.713 1.00 0.00 C ATOM 1595 C TYR A 878 8.305 -10.134 9.190 1.00 0.00 C ATOM 1596 O TYR A 878 7.227 -10.063 8.606 1.00 0.00 O ATOM 1597 CB TYR A 878 8.620 -8.710 11.236 1.00 0.00 C ATOM 1598 CG TYR A 878 7.775 -8.361 12.443 1.00 0.00 C ATOM 1599 CD1 TYR A 878 8.009 -8.959 13.678 1.00 0.00 C ATOM 1600 CD2 TYR A 878 6.742 -7.440 12.347 1.00 0.00 C ATOM 1601 CE1 TYR A 878 7.235 -8.645 14.780 1.00 0.00 C ATOM 1602 CE2 TYR A 878 5.965 -7.122 13.443 1.00 0.00 C ATOM 1603 CZ TYR A 878 6.216 -7.727 14.658 1.00 0.00 C ATOM 1604 OH TYR A 878 5.442 -7.411 15.753 1.00 0.00 O ATOM 0 H TYR A 878 10.192 -10.595 11.600 1.00 0.00 H new ATOM 0 HA TYR A 878 7.388 -10.452 11.087 1.00 0.00 H new ATOM 0 HB2 TYR A 878 9.674 -8.615 11.497 1.00 0.00 H new ATOM 0 HB3 TYR A 878 8.422 -7.991 10.441 1.00 0.00 H new ATOM 0 HD1 TYR A 878 8.807 -9.679 13.777 1.00 0.00 H new ATOM 0 HD2 TYR A 878 6.542 -6.964 11.399 1.00 0.00 H new ATOM 0 HE1 TYR A 878 7.429 -9.117 15.732 1.00 0.00 H new ATOM 0 HE2 TYR A 878 5.164 -6.403 13.350 1.00 0.00 H new ATOM 0 HH TYR A 878 4.769 -6.747 15.497 1.00 0.00 H new ATOM 1614 N ILE A 879 9.464 -10.248 8.548 1.00 0.00 N ATOM 1615 CA ILE A 879 9.520 -10.301 7.090 1.00 0.00 C ATOM 1616 C ILE A 879 8.780 -11.531 6.561 1.00 0.00 C ATOM 1617 O ILE A 879 8.007 -11.432 5.608 1.00 0.00 O ATOM 1618 CB ILE A 879 10.974 -10.306 6.558 1.00 0.00 C ATOM 1619 CG1 ILE A 879 11.673 -8.985 6.897 1.00 0.00 C ATOM 1620 CG2 ILE A 879 10.989 -10.533 5.051 1.00 0.00 C ATOM 1621 CD1 ILE A 879 13.089 -8.894 6.370 1.00 0.00 C ATOM 0 H ILE A 879 10.371 -10.305 9.010 1.00 0.00 H new ATOM 0 HA ILE A 879 9.031 -9.397 6.727 1.00 0.00 H new ATOM 0 HB ILE A 879 11.513 -11.121 7.041 1.00 0.00 H new ATOM 0 HG12 ILE A 879 11.089 -8.160 6.489 1.00 0.00 H new ATOM 0 HG13 ILE A 879 11.689 -8.860 7.980 1.00 0.00 H new ATOM 0 HG21 ILE A 879 12.019 -10.534 4.693 1.00 0.00 H new ATOM 0 HG22 ILE A 879 10.525 -11.493 4.823 1.00 0.00 H new ATOM 0 HG23 ILE A 879 10.434 -9.735 4.557 1.00 0.00 H new ATOM 0 HD11 ILE A 879 13.520 -7.932 6.648 1.00 0.00 H new ATOM 0 HD12 ILE A 879 13.689 -9.697 6.798 1.00 0.00 H new ATOM 0 HD13 ILE A 879 13.080 -8.987 5.284 1.00 0.00 H new ATOM 1633 N SER A 880 9.001 -12.683 7.189 1.00 0.00 N ATOM 1634 CA SER A 880 8.336 -13.910 6.770 1.00 0.00 C ATOM 1635 C SER A 880 6.845 -13.837 7.075 1.00 0.00 C ATOM 1636 O SER A 880 6.028 -14.421 6.364 1.00 0.00 O ATOM 1637 CB SER A 880 8.965 -15.131 7.451 1.00 0.00 C ATOM 1638 OG SER A 880 9.057 -14.949 8.855 1.00 0.00 O ATOM 0 H SER A 880 9.631 -12.791 7.984 1.00 0.00 H new ATOM 0 HA SER A 880 8.465 -14.018 5.693 1.00 0.00 H new ATOM 0 HB2 SER A 880 8.368 -16.017 7.236 1.00 0.00 H new ATOM 0 HB3 SER A 880 9.959 -15.308 7.039 1.00 0.00 H new ATOM 0 HG SER A 880 9.841 -14.399 9.063 1.00 0.00 H new ATOM 1644 N ASP A 881 6.493 -13.117 8.133 1.00 0.00 N ATOM 1645 CA ASP A 881 5.091 -12.924 8.491 1.00 0.00 C ATOM 1646 C ASP A 881 4.407 -11.996 7.495 1.00 0.00 C ATOM 1647 O ASP A 881 3.256 -12.204 7.133 1.00 0.00 O ATOM 1648 CB ASP A 881 4.970 -12.351 9.903 1.00 0.00 C ATOM 1649 CG ASP A 881 4.416 -13.352 10.896 1.00 0.00 C ATOM 1650 OD1 ASP A 881 4.951 -14.480 10.978 1.00 0.00 O ATOM 1651 OD2 ASP A 881 3.453 -13.015 11.612 1.00 0.00 O ATOM 0 H ASP A 881 7.156 -12.658 8.757 1.00 0.00 H new ATOM 0 HA ASP A 881 4.598 -13.896 8.463 1.00 0.00 H new ATOM 0 HB2 ASP A 881 5.951 -12.016 10.240 1.00 0.00 H new ATOM 0 HB3 ASP A 881 4.324 -11.473 9.880 1.00 0.00 H new ATOM 1656 N ILE A 882 5.122 -10.968 7.056 1.00 0.00 N ATOM 1657 CA ILE A 882 4.629 -10.084 6.002 1.00 0.00 C ATOM 1658 C ILE A 882 4.498 -10.860 4.692 1.00 0.00 C ATOM 1659 O ILE A 882 3.593 -10.620 3.889 1.00 0.00 O ATOM 1660 CB ILE A 882 5.560 -8.861 5.803 1.00 0.00 C ATOM 1661 CG1 ILE A 882 5.506 -7.950 7.033 1.00 0.00 C ATOM 1662 CG2 ILE A 882 5.184 -8.077 4.549 1.00 0.00 C ATOM 1663 CD1 ILE A 882 6.683 -7.008 7.140 1.00 0.00 C ATOM 0 H ILE A 882 6.046 -10.724 7.412 1.00 0.00 H new ATOM 0 HA ILE A 882 3.650 -9.712 6.306 1.00 0.00 H new ATOM 0 HB ILE A 882 6.578 -9.230 5.676 1.00 0.00 H new ATOM 0 HG12 ILE A 882 4.586 -7.366 7.003 1.00 0.00 H new ATOM 0 HG13 ILE A 882 5.462 -8.567 7.930 1.00 0.00 H new ATOM 0 HG21 ILE A 882 5.855 -7.226 4.437 1.00 0.00 H new ATOM 0 HG22 ILE A 882 5.270 -8.724 3.676 1.00 0.00 H new ATOM 0 HG23 ILE A 882 4.158 -7.721 4.637 1.00 0.00 H new ATOM 0 HD11 ILE A 882 6.577 -6.394 8.034 1.00 0.00 H new ATOM 0 HD12 ILE A 882 7.606 -7.585 7.203 1.00 0.00 H new ATOM 0 HD13 ILE A 882 6.716 -6.365 6.260 1.00 0.00 H new ATOM 1675 N ASP A 883 5.389 -11.819 4.504 1.00 0.00 N ATOM 1676 CA ASP A 883 5.421 -12.613 3.290 1.00 0.00 C ATOM 1677 C ASP A 883 4.237 -13.556 3.276 1.00 0.00 C ATOM 1678 O ASP A 883 3.498 -13.644 2.297 1.00 0.00 O ATOM 1679 CB ASP A 883 6.724 -13.406 3.227 1.00 0.00 C ATOM 1680 CG ASP A 883 6.673 -14.558 2.243 1.00 0.00 C ATOM 1681 OD1 ASP A 883 6.761 -14.311 1.026 1.00 0.00 O ATOM 1682 OD2 ASP A 883 6.554 -15.718 2.686 1.00 0.00 O ATOM 0 H ASP A 883 6.106 -12.067 5.185 1.00 0.00 H new ATOM 0 HA ASP A 883 5.367 -11.956 2.422 1.00 0.00 H new ATOM 0 HB2 ASP A 883 7.537 -12.735 2.950 1.00 0.00 H new ATOM 0 HB3 ASP A 883 6.955 -13.794 4.219 1.00 0.00 H new ATOM 1687 N SER A 884 4.049 -14.234 4.395 1.00 0.00 N ATOM 1688 CA SER A 884 2.947 -15.160 4.563 1.00 0.00 C ATOM 1689 C SER A 884 1.622 -14.405 4.556 1.00 0.00 C ATOM 1690 O SER A 884 0.611 -14.910 4.074 1.00 0.00 O ATOM 1691 CB SER A 884 3.134 -15.928 5.872 1.00 0.00 C ATOM 1692 OG SER A 884 3.505 -15.064 6.929 1.00 0.00 O ATOM 0 H SER A 884 4.656 -14.157 5.211 1.00 0.00 H new ATOM 0 HA SER A 884 2.931 -15.870 3.736 1.00 0.00 H new ATOM 0 HB2 SER A 884 2.208 -16.443 6.129 1.00 0.00 H new ATOM 0 HB3 SER A 884 3.899 -16.694 5.740 1.00 0.00 H new ATOM 0 HG SER A 884 4.482 -15.027 6.994 1.00 0.00 H new ATOM 1698 N TYR A 885 1.658 -13.185 5.079 1.00 0.00 N ATOM 1699 CA TYR A 885 0.520 -12.270 5.030 1.00 0.00 C ATOM 1700 C TYR A 885 0.028 -12.156 3.603 1.00 0.00 C ATOM 1701 O TYR A 885 -1.125 -12.446 3.277 1.00 0.00 O ATOM 1702 CB TYR A 885 0.970 -10.885 5.495 1.00 0.00 C ATOM 1703 CG TYR A 885 -0.148 -9.886 5.702 1.00 0.00 C ATOM 1704 CD1 TYR A 885 -1.085 -10.047 6.716 1.00 0.00 C ATOM 1705 CD2 TYR A 885 -0.251 -8.768 4.885 1.00 0.00 C ATOM 1706 CE1 TYR A 885 -2.095 -9.119 6.905 1.00 0.00 C ATOM 1707 CE2 TYR A 885 -1.252 -7.836 5.069 1.00 0.00 C ATOM 1708 CZ TYR A 885 -2.170 -8.014 6.078 1.00 0.00 C ATOM 1709 OH TYR A 885 -3.163 -7.079 6.264 1.00 0.00 O ATOM 0 H TYR A 885 2.477 -12.800 5.550 1.00 0.00 H new ATOM 0 HA TYR A 885 -0.275 -12.647 5.673 1.00 0.00 H new ATOM 0 HB2 TYR A 885 1.519 -10.993 6.431 1.00 0.00 H new ATOM 0 HB3 TYR A 885 1.667 -10.481 4.761 1.00 0.00 H new ATOM 0 HD1 TYR A 885 -1.024 -10.908 7.365 1.00 0.00 H new ATOM 0 HD2 TYR A 885 0.466 -8.625 4.090 1.00 0.00 H new ATOM 0 HE1 TYR A 885 -2.820 -9.258 7.694 1.00 0.00 H new ATOM 0 HE2 TYR A 885 -1.314 -6.972 4.424 1.00 0.00 H new ATOM 0 HH TYR A 885 -3.070 -6.366 5.598 1.00 0.00 H new ATOM 1719 N VAL A 886 0.959 -11.754 2.769 1.00 0.00 N ATOM 1720 CA VAL A 886 0.724 -11.535 1.367 1.00 0.00 C ATOM 1721 C VAL A 886 0.374 -12.850 0.659 1.00 0.00 C ATOM 1722 O VAL A 886 -0.411 -12.861 -0.287 1.00 0.00 O ATOM 1723 CB VAL A 886 1.977 -10.860 0.770 1.00 0.00 C ATOM 1724 CG1 VAL A 886 2.470 -11.543 -0.499 1.00 0.00 C ATOM 1725 CG2 VAL A 886 1.701 -9.389 0.519 1.00 0.00 C ATOM 0 H VAL A 886 1.920 -11.567 3.056 1.00 0.00 H new ATOM 0 HA VAL A 886 -0.134 -10.878 1.222 1.00 0.00 H new ATOM 0 HB VAL A 886 2.779 -10.960 1.502 1.00 0.00 H new ATOM 0 HG11 VAL A 886 3.353 -11.024 -0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 886 2.725 -12.580 -0.279 1.00 0.00 H new ATOM 0 HG13 VAL A 886 1.686 -11.515 -1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 886 2.590 -8.919 0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 886 0.871 -9.289 -0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 886 1.444 -8.901 1.459 1.00 0.00 H new ATOM 1735 N LYS A 887 0.936 -13.955 1.148 1.00 0.00 N ATOM 1736 CA LYS A 887 0.629 -15.280 0.616 1.00 0.00 C ATOM 1737 C LYS A 887 -0.872 -15.560 0.691 1.00 0.00 C ATOM 1738 O LYS A 887 -1.481 -15.988 -0.289 1.00 0.00 O ATOM 1739 CB LYS A 887 1.390 -16.364 1.388 1.00 0.00 C ATOM 1740 CG LYS A 887 2.886 -16.388 1.115 1.00 0.00 C ATOM 1741 CD LYS A 887 3.177 -16.489 -0.370 1.00 0.00 C ATOM 1742 CE LYS A 887 4.321 -15.575 -0.783 1.00 0.00 C ATOM 1743 NZ LYS A 887 5.654 -16.164 -0.481 1.00 0.00 N ATOM 0 H LYS A 887 1.609 -13.957 1.915 1.00 0.00 H new ATOM 0 HA LYS A 887 0.942 -15.299 -0.428 1.00 0.00 H new ATOM 0 HB2 LYS A 887 1.229 -16.215 2.456 1.00 0.00 H new ATOM 0 HB3 LYS A 887 0.970 -17.337 1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 887 3.345 -15.484 1.516 1.00 0.00 H new ATOM 0 HG3 LYS A 887 3.338 -17.233 1.634 1.00 0.00 H new ATOM 0 HD2 LYS A 887 3.425 -17.520 -0.623 1.00 0.00 H new ATOM 0 HD3 LYS A 887 2.282 -16.229 -0.935 1.00 0.00 H new ATOM 0 HE2 LYS A 887 4.251 -15.370 -1.851 1.00 0.00 H new ATOM 0 HE3 LYS A 887 4.224 -14.620 -0.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 887 6.308 -15.410 -0.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 887 5.561 -16.859 0.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 887 6.026 -16.635 -1.330 1.00 0.00 H new ATOM 1757 N SER A 888 -1.460 -15.311 1.857 1.00 0.00 N ATOM 1758 CA SER A 888 -2.894 -15.507 2.054 1.00 0.00 C ATOM 1759 C SER A 888 -3.701 -14.406 1.366 1.00 0.00 C ATOM 1760 O SER A 888 -4.853 -14.611 0.988 1.00 0.00 O ATOM 1761 CB SER A 888 -3.222 -15.542 3.550 1.00 0.00 C ATOM 1762 OG SER A 888 -2.052 -15.377 4.328 1.00 0.00 O ATOM 0 H SER A 888 -0.965 -14.972 2.682 1.00 0.00 H new ATOM 0 HA SER A 888 -3.169 -16.461 1.605 1.00 0.00 H new ATOM 0 HB2 SER A 888 -3.936 -14.754 3.788 1.00 0.00 H new ATOM 0 HB3 SER A 888 -3.699 -16.490 3.800 1.00 0.00 H new ATOM 0 HG SER A 888 -2.286 -15.401 5.279 1.00 0.00 H new ATOM 1768 N LEU A 889 -3.090 -13.240 1.201 1.00 0.00 N ATOM 1769 CA LEU A 889 -3.766 -12.104 0.589 1.00 0.00 C ATOM 1770 C LEU A 889 -3.803 -12.220 -0.932 1.00 0.00 C ATOM 1771 O LEU A 889 -4.560 -11.508 -1.594 1.00 0.00 O ATOM 1772 CB LEU A 889 -3.079 -10.802 0.997 1.00 0.00 C ATOM 1773 CG LEU A 889 -3.935 -9.857 1.838 1.00 0.00 C ATOM 1774 CD1 LEU A 889 -3.748 -10.148 3.315 1.00 0.00 C ATOM 1775 CD2 LEU A 889 -3.588 -8.410 1.531 1.00 0.00 C ATOM 0 H LEU A 889 -2.127 -13.056 1.483 1.00 0.00 H new ATOM 0 HA LEU A 889 -4.795 -12.100 0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 889 -2.176 -11.045 1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 889 -2.764 -10.277 0.095 1.00 0.00 H new ATOM 0 HG LEU A 889 -4.982 -10.020 1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 889 -4.364 -9.466 3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 889 -4.045 -11.176 3.524 1.00 0.00 H new ATOM 0 HD13 LEU A 889 -2.700 -10.011 3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 889 -4.207 -7.750 2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 889 -2.537 -8.232 1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 889 -3.771 -8.208 0.476 1.00 0.00 H new ATOM 1787 N LEU A 890 -2.971 -13.097 -1.483 1.00 0.00 N ATOM 1788 CA LEU A 890 -2.951 -13.334 -2.923 1.00 0.00 C ATOM 1789 C LEU A 890 -4.297 -13.865 -3.404 1.00 0.00 C ATOM 1790 O LEU A 890 -4.830 -14.802 -2.766 1.00 0.00 O ATOM 1791 CB LEU A 890 -1.844 -14.325 -3.287 1.00 0.00 C ATOM 1792 CG LEU A 890 -0.424 -13.757 -3.264 1.00 0.00 C ATOM 1793 CD1 LEU A 890 0.593 -14.870 -3.445 1.00 0.00 C ATOM 1794 CD2 LEU A 890 -0.250 -12.696 -4.341 1.00 0.00 C ATOM 1795 OXT LEU A 890 -4.825 -13.335 -4.406 1.00 0.00 O ATOM 0 H LEU A 890 -2.301 -13.656 -0.955 1.00 0.00 H new ATOM 0 HA LEU A 890 -2.754 -12.383 -3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 890 -1.892 -15.167 -2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 890 -2.044 -14.718 -4.284 1.00 0.00 H new ATOM 0 HG LEU A 890 -0.258 -13.288 -2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 890 1.599 -14.450 -3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 890 0.487 -15.594 -2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 890 0.424 -15.365 -4.401 1.00 0.00 H new ATOM 0 HD21 LEU A 890 0.767 -12.306 -4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 890 -0.436 -13.137 -5.320 1.00 0.00 H new ATOM 0 HD23 LEU A 890 -0.956 -11.884 -4.169 1.00 0.00 H new